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]([C:13]([N:14]([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([N:15]([C:16](=[O:17])[C@:18]([C:19]([H:74])([H:75])[H:76])([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25](=[O:26])[O:27][H:77])([H:78])[H:79])([N:28]([C:29](=[O:30])[C@:31]([C:32]([H:80])([H:81])[H:82])([N:33]([C:34](=[O:35])[C@:36]([C:37]([H:83])([H:84])[H:85])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:86])[H:87])([C:43]([C:44]([H:88])([H:89])[H:90])([C:45]([H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[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[C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([N:15]([C:16](=[O:17])[C@:18]([C:19]([H:74])([H:75])[H:76])([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25](=[O:26])[O:27][H:77])([H:78])[H:79])([N:28]([C:29](=[O:30])[C@:31]([C:32]([H:80])([H:81])[H:82])([N:33]([C:34](=[O:35])[C@:36]([C:37]([H:83])([H:84])[H:85])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:86])[H:87])([C:43]([C:44]([H:88])([H:89])[H:90])([C:45]([H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105]
Derived Operators
EVODEX.1-F498 - Elemental Balance
| O | -3 |
| C | -13 |
| N | -3 |
| H | -23 |
EVODEX.1-M472 - Mass Difference
-269.17409
EVODEX.1-E1317 - 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]>>[#6:7](=[#8:8])(-[#6@:9])-[#8]-[H]
EVODEX.1-C651 - 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]-[#6:7]
EVODEX.1-N806 - 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]-[#6:7](=[#8:8])-[#6@:9]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5940
[C:1]([C:2]([C@:3]([C:4]([H:61])([H:62])[H:63])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([N:15]([C:16](=[O:17])[C@:18]([C:19]([H:74])([H:75])[H:76])([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25](=[O:26])[O:27][H:77])([H:78])[H:79])([N:28]([C:29](=[O:30])[C@:31]([C:32]([H:80])([H:81])[H:82])([N:33]([C:34](=[O:35])[C@:36]([C:37]([H:83])([H:84])[H:85])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:86])[H:87])([C:43]([C:44]([H:88])([H:89])[H:90])([C:45]([H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])([C:46](=[O:47])[N:48]([C@:49]([C:50](=[O:51])[N:52]([C:53]([C:54](=[O:55])[O:56][H:107])([H:108])[H:109])[H:110])([C:57]([C:58]([H:111])([H:112])[H:113])([C:59]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:121])([H:122])[H:123])([H:124])([H:125])[H:126].[H][O:60][H:127]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([N:15]([C:16](=[O:17])[C@:18]([C:19]([H:74])([H:75])[H:76])([N:20]([C:21](=[O:22])[C@:23]([C:24]([C:25](=[O:26])[O:27][H:77])([H:78])[H:79])([N:28]([C:29](=[O:30])[C@:31]([C:32]([H:80])([H:81])[H:82])([N:33]([C:34](=[O:35])[C@:36]([C:37]([H:83])([H:84])[H:85])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:86])[H:87])([C:43]([C:44]([H:88])([H:89])[H:90])([C:45]([H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[O:60][H:127].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:124])([H:125])[H:126])([H:122])[H:123])([C:4]([H:61])([H:62])[H:63])[H:121])([C:46](=[O:47])[N:48]([C@:49]([C:50](=[O:51])[N:52]([C:53]([C:54](=[O:55])[O:56][H:107])([H:108])[H:109])[H:110])([C:57]([C:58]([H:111])([H:112])[H:113])([C:59]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:106]