SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:54])([H:55])[H:56])([H:57])[H:58])([N:20]([C:21](=[O:22])[C@:23]1([H:59])[C:24]([H:60])([H:61])[C:25]([H:62])([H:63])[C:26]([H:64])([H:65])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([C:32]([C:33]([H:66])([H:67])[H:68])([C:34]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([N:35]([C:36](=[O:37])[C@@:38]([N:39]([H:75])[H:76])([C:40]([C:41]([C:42]([H:77])([H:78])[H:79])([C:43]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:54])([H:55])[H:56])([H:57])[H:58])([N:20]([C:21](=[O:22])[C@:23]1([H:59])[C:24]([H:60])([H:61])[C:25]([H:62])([H:63])[C:26]([H:64])([H:65])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([C:32]([C:33]([H:66])([H:67])[H:68])([C:34]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([N:35]([C:36](=[O:37])[C@@:38]([N:39]([H:75])[H:76])([C:40]([C:41]([C:42]([H:77])([H:78])[H:79])([C:43]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90]
Derived Operators
EVODEX.1-F487 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -2 |
| H | -16 |
EVODEX.1-M167 - Mass Difference
-184.12128
EVODEX.1-E1303 - Reaction Operator E
[#6:69](-[#6@@:64])(=[#8:70])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])-[H]>>[#6:69](-[#6@@:64])(=[#8:70])-[#8]-[H]
EVODEX.1-C630 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:70])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:70]
EVODEX.1-N785 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:70](-[#6@@:64])=[#8:71])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:70](-[#6@@:64])=[#8:71]
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-R5804
[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:51])([H:52])[H:53])([N:11]([C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:54])([H:55])[H:56])([H:57])[H:58])([N:20]([C:21](=[O:22])[C@:23]1([H:59])[C:24]([H:60])([H:61])[C:25]([H:62])([H:63])[C:26]([H:64])([H:65])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([C:32]([C:33]([H:66])([H:67])[H:68])([C:34]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([N:35]([C:36](=[O:37])[C@@:38]([N:39]([H:75])[H:76])([C:40]([C:41]([C:42]([H:77])([H:78])[H:79])([C:43]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])([C:44](=[O:45])[O:46][H:94])[H:95])([H:96])[H:97])[H:98])([H:99])([H:100])[H:101].[H][O:47][H:102]>>[C:12](=[O:13])([C@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:54])([H:55])[H:56])([H:57])[H:58])([N:20]([C:21](=[O:22])[C@:23]1([H:59])[C:24]([H:60])([H:61])[C:25]([H:62])([H:63])[C:26]([H:64])([H:65])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([C:32]([C:33]([H:66])([H:67])[H:68])([C:34]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([N:35]([C:36](=[O:37])[C@@:38]([N:39]([H:75])[H:76])([C:40]([C:41]([C:42]([H:77])([H:78])[H:79])([C:43]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])[O:47][H:102].[H][N:11]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:99])([H:100])[H:101])([C:3]([H:48])([H:49])[H:50])[H:98])([H:96])[H:97])([C:44](=[O:45])[O:46][H:94])[H:95])[H:93])=[O:8])([C:10]([H:51])([H:52])[H:53])[H:92])[H:91]