SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([N:13]([C:14](=[N:15][H:75])[N:16]([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22](=[O:23])[O:24][H:85])([H:86])[H:87])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30](=[O:31])[O:32][H:88])([H:89])[H:90])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38](=[O:39])[O:40][H:91])([H:92])[H:93])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46](=[O:47])[O:48][H:94])([H:95])[H:96])([N:49]([C:50](=[O:51])[C@@:52]([N:53]([H:97])[H:98])([C:54]([C:55]([H:99])([H:100])[H:101])([C:56]([H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[H:116])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:71][H:138]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([N:13]([C:14](=[N:15][H:75])[N:16]([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22](=[O:23])[O:24][H:85])([H:86])[H:87])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30](=[O:31])[O:32][H:88])([H:89])[H:90])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38](=[O:39])[O:40][H:91])([H:92])[H:93])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46](=[O:47])[O:48][H:94])([H:95])[H:96])([N:49]([C:50](=[O:51])[C@@:52]([N:53]([H:97])[H:98])([C:54]([C:55]([H:99])([H:100])[H:101])([C:56]([H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[H:116])[O:71][H:138]
Derived Operators
EVODEX.1-F513 - Elemental Balance
| O | -4 |
| C | -13 |
| N | -3 |
| H | -25 |
EVODEX.1-M486 - Mass Difference
-287.18465
EVODEX.1-E1331 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](=[#8:8])-[#6@:9])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:63](-[H:130])-[H]>>[#6:7](=[#8:8])(-[#6@:9])-[#8:63]-[H:130]
EVODEX.1-C650 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]>>[#6:7]-[#8:63]
EVODEX.1-N805 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6@:9])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]-[H:130]>>[#6:7](=[#8:8])(-[#6@:9])-[#8:63]-[H:130]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5944
[C:1]([C:2]([C@:3]([C:4]([H:72])([H:73])[H:74])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([N:13]([C:14](=[N:15][H:75])[N:16]([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22](=[O:23])[O:24][H:85])([H:86])[H:87])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30](=[O:31])[O:32][H:88])([H:89])[H:90])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38](=[O:39])[O:40][H:91])([H:92])[H:93])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46](=[O:47])[O:48][H:94])([H:95])[H:96])([N:49]([C:50](=[O:51])[C@@:52]([N:53]([H:97])[H:98])([C:54]([C:55]([H:99])([H:100])[H:101])([C:56]([H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[H:116])[H:117])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C:64]([C:65](=[O:66])[O:67][H:118])([H:119])[H:120])[H:121])([C:68]([C:69]([H:122])([H:123])[H:124])([C:70]([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][O:71][H:138]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([N:13]([C:14](=[N:15][H:75])[N:16]([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22](=[O:23])[O:24][H:85])([H:86])[H:87])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30](=[O:31])[O:32][H:88])([H:89])[H:90])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38](=[O:39])[O:40][H:91])([H:92])[H:93])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46](=[O:47])[O:48][H:94])([H:95])[H:96])([N:49]([C:50](=[O:51])[C@@:52]([N:53]([H:97])[H:98])([C:54]([C:55]([H:99])([H:100])[H:101])([C:56]([H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[H:116])[O:71][H:138].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:135])([H:136])[H:137])([H:133])[H:134])([C:4]([H:72])([H:73])[H:74])[H:132])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C:64]([C:65](=[O:66])[O:67][H:118])([H:119])[H:120])[H:121])([C:68]([C:69]([H:122])([H:123])[H:124])([C:70]([H:125])([H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[H:117]