SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:24]([C@@:19]([N:18]([C:16]([C@:5]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:38])([H:39])[H:40])[H:72])([H:70])[H:71])([N:6]([C:7](=[O:8])[O:9][C:10]1:[C:11]([H:41]):[C:12]([H:42]):[C:13]([H:43]):[C:14]([H:44]):[C:15]:1[H:45])[H:46])[H:69])=[O:17])[H:68])([C:20]([C:21]([C:22]([H:47])([H:48])[H:49])([C:23]([H:50])([H:51])[H:52])[H:53])([H:54])[H:55])[H:67])=[O:25])C([H])([H])[H])C([H])([H])[H].[H][O:37][H:76]>>[C:1]([C:2]([C:3]([H:38])([H:39])[H:40])([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]1:[C:11]([H:41]):[C:12]([H:42]):[C:13]([H:43]):[C:14]([H:44]):[C:15]:1[H:45])[H:46])([C:16](=[O:17])[N:18]([C@@:19]([C:20]([C:21]([C:22]([H:47])([H:48])[H:49])([C:23]([H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([C:24](=[O:25])[O:37][H:76])[H:67])[H:68])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75]
Derived Operators
EVODEX.1-F353 - Elemental Balance
| O | -3 |
| C | -6 |
| N | -2 |
| H | -12 |
EVODEX.1-M357 - Mass Difference
-160.08486000000002
EVODEX.1-E1144 - Reaction Operator E
[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6:9](=[#8:10])-[#6@:11])-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H].[#8:42](-[H:82])-[H]>>[#6:9](=[#8:10])(-[#6@:11])-[#8:42]-[H:82]
EVODEX.1-C667 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:9])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:42]>>[#6:9]-[#8:42]
EVODEX.1-N824 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:9](=[#8:10])-[#6@:11])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:42]-[H:77]>>[#6:9](=[#8:10])(-[#6@:11])-[#8:42]-[H:77]
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-R6106
[C:1]([C:2]([C:3]([H:38])([H:39])[H:40])([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]1:[C:11]([H:41]):[C:12]([H:42]):[C:13]([H:43]):[C:14]([H:44]):[C:15]:1[H:45])[H:46])([C:16](=[O:17])[N:18]([C@@:19]([C:20]([C:21]([C:22]([H:47])([H:48])[H:49])([C:23]([H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([C:24](=[O:25])[N:26]([C@@:27]([C:28]([H:56])([H:57])[H:58])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([H:59])([H:60])[H:61])([C:34](=[O:35])[O:36][H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[H][O:37][H:76]>>[C:1]([C:2]([C:3]([H:38])([H:39])[H:40])([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]1:[C:11]([H:41]):[C:12]([H:42]):[C:13]([H:43]):[C:14]([H:44]):[C:15]:1[H:45])[H:46])([C:16](=[O:17])[N:18]([C@@:19]([C:20]([C:21]([C:22]([H:47])([H:48])[H:49])([C:23]([H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([C:24](=[O:25])[O:37][H:76])[H:67])[H:68])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[H][N:26]([C@@:27]([C:28]([H:56])([H:57])[H:58])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([H:59])([H:60])[H:61])([C:34](=[O:35])[O:36][H:62])[H:63])[H:64])[H:65])[H:66]