SMIRKS
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:18]([C@@:19]1([H:75])[C:20]([H:76])([H:77])[C@:21]([O:22][H:78])([H:79])[C@:23]([O:24][H:80])([H:81])[N:25]([H:82])[C:26](=[O:27])[C@:28]2([H:83])[C@:29]([O:30][H:84])([H:85])[C@:31]([C:32]([H:86])([H:87])[H:88])([H:89])[C:33]([H:90])([H:91])[N:34]2[C:35](=[O:36])[C@@:37]([C@@:38]([C:39]([H:92])([H:93])[H:94])([O:40][H:95])[H:96])([H:97])[N:41]([H:98])[C:42](=[O:43])[C@@:44]([C@:45]([O:46][H:99])([C@@:47]([O:48][H:100])([C:49]2:[C:50]([H:101]):[C:51]([H:102]):[C:52]([O:53][H:103]):[C:54]([H:104]):[C:55]:2[H:105])[H:106])[H:107])([H:108])[N:56]([H:109])[C:57](=[O:58])[C@:59]2([H:110])[C:60]([H:111])([H:112])[C@:61]([O:62][H:113])([H:114])[C:63]([H:115])([H:116])[N:64]2[C:65](=[O:66])[C@@:67]([C@@:68]([C:69]([H:117])([H:118])[H:119])([O:70][H:120])[H:121])([H:122])[N:71]([H:123])[C:72]1=[O:73])[H:124]>>[H][N:18]([C@@:19]1([H:75])[C:20]([H:76])([H:77])[C@:21]([O:22][H:78])([H:79])[C@:23]([O:24][H:80])([H:81])[N:25]([H:82])[C:26](=[O:27])[C@:28]2([H:83])[C@:29]([O:30][H:84])([H:85])[C@:31]([C:32]([H:86])([H:87])[H:88])([H:89])[C:33]([H:90])([H:91])[N:34]2[C:35](=[O:36])[C@@:37]([C@@:38]([C:39]([H:92])([H:93])[H:94])([O:40][H:95])[H:96])([H:97])[N:41]([H:98])[C:42](=[O:43])[C@@:44]([C@:45]([O:46][H:99])([C@@:47]([O:48][H:100])([C:49]2:[C:50]([H:101]):[C:51]([H:102]):[C:52]([O:53][H:103]):[C:54]([H:104]):[C:55]:2[H:105])[H:106])[H:107])([H:108])[N:56]([H:109])[C:57](=[O:58])[C@:59]2([H:110])[C:60]([H:111])([H:112])[C@:61]([O:62][H:113])([H:114])[C:63]([H:115])([H:116])[N:64]2[C:65](=[O:66])[C@@:67]([C@@:68]([C:69]([H:117])([H:118])[H:119])([O:70][H:120])[H:121])([H:122])[N:71]([H:123])[C:72]1=[O:73])[H:124]
Derived Operators
EVODEX.1-F17 - Elemental Balance
| O | -1 |
| C | -16 |
| H | -30 |
EVODEX.1-M93 - Mass Difference
-238.2298
EVODEX.1-E456 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:18](-[#6:19])-[H:33])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#7:18](-[#6:19])(-[H:33])-[H]
EVODEX.1-C695 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:18]>>[H]-[#7:18]
EVODEX.1-N859 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:18](-[#6@@:19])-[H:124]>>[H]-[#7:18](-[#6@@:19])-[H:124]
Source Full Reactions
EVODEX.1-R6460
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16](=[O:17])[N:18]([C@@:19]1([H:75])[C:20]([H:76])([H:77])[C@:21]([O:22][H:78])([H:79])[C@:23]([O:24][H:80])([H:81])[N:25]([H:82])[C:26](=[O:27])[C@:28]2([H:83])[C@:29]([O:30][H:84])([H:85])[C@:31]([C:32]([H:86])([H:87])[H:88])([H:89])[C:33]([H:90])([H:91])[N:34]2[C:35](=[O:36])[C@@:37]([C@@:38]([C:39]([H:92])([H:93])[H:94])([O:40][H:95])[H:96])([H:97])[N:41]([H:98])[C:42](=[O:43])[C@@:44]([C@:45]([O:46][H:99])([C@@:47]([O:48][H:100])([C:49]2:[C:50]([H:101]):[C:51]([H:102]):[C:52]([O:53][H:103]):[C:54]([H:104]):[C:55]:2[H:105])[H:106])[H:107])([H:108])[N:56]([H:109])[C:57](=[O:58])[C@:59]2([H:110])[C:60]([H:111])([H:112])[C@:61]([O:62][H:113])([H:114])[C:63]([H:115])([H:116])[N:64]2[C:65](=[O:66])[C@@:67]([C@@:68]([C:69]([H:117])([H:118])[H:119])([O:70][H:120])[H:121])([H:122])[N:71]([H:123])[C:72]1=[O:73])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])([H:154])[H:155].[H][O:74][H:156]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16](=[O:17])[O:74][H:156])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])([H:154])[H:155].[H][N:18]([C@@:19]1([H:75])[C:20]([H:76])([H:77])[C@:21]([O:22][H:78])([H:79])[C@:23]([O:24][H:80])([H:81])[N:25]([H:82])[C:26](=[O:27])[C@:28]2([H:83])[C@:29]([O:30][H:84])([H:85])[C@:31]([C:32]([H:86])([H:87])[H:88])([H:89])[C:33]([H:90])([H:91])[N:34]2[C:35](=[O:36])[C@@:37]([C@@:38]([C:39]([H:92])([H:93])[H:94])([O:40][H:95])[H:96])([H:97])[N:41]([H:98])[C:42](=[O:43])[C@@:44]([C@:45]([O:46][H:99])([C@@:47]([O:48][H:100])([C:49]2:[C:50]([H:101]):[C:51]([H:102]):[C:52]([O:53][H:103]):[C:54]([H:104]):[C:55]:2[H:105])[H:106])[H:107])([H:108])[N:56]([H:109])[C:57](=[O:58])[C@:59]2([H:110])[C:60]([H:111])([H:112])[C@:61]([O:62][H:113])([H:114])[C:63]([H:115])([H:116])[N:64]2[C:65](=[O:66])[C@@:67]([C@@:68]([C:69]([H:117])([H:118])[H:119])([O:70][H:120])[H:121])([H:122])[N:71]([H:123])[C:72]1=[O:73])[H:124]