SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:9](=[O:10])[C@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:36])([H:37])[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C@@:20]([N:21]([H:41])[H:42])([C:22]([C:23]1:[C:24]([H:43]):[C:25]([H:44]):[C:26]([H:45]):[C:27]([H:46]):[C:28]:1[H:47])([H:48])[H:49])[H:50])[H:51])[H:52])C([H])([H])[H])C([H])([H])[H].[H][O:32][H:61]>>[C:9](=[O:10])([C@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:36])([H:37])[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C@@:20]([N:21]([H:41])[H:42])([C:22]([C:23]1:[C:24]([H:43]):[C:25]([H:44]):[C:26]([H:45]):[C:27]([H:46]):[C:28]:1[H:47])([H:48])[H:49])[H:50])[H:51])[H:52])[O:32][H:61]
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-R6101
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:33])([H:34])[H:35])([N:8]([C:9](=[O:10])[C@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:36])([H:37])[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C@@:20]([N:21]([H:41])[H:42])([C:22]([C:23]1:[C:24]([H:43]):[C:25]([H:44]):[C:26]([H:45]):[C:27]([H:46]):[C:28]:1[H:47])([H:48])[H:49])[H:50])[H:51])[H:52])[H:53])[H:54])[H:55])([C:29](=[O:30])[O:31][H:56])[H:57])([H:58])([H:59])[H:60].[H][O:32][H:61]>>[C:9](=[O:10])([C@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:36])([H:37])[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C@@:20]([N:21]([H:41])[H:42])([C:22]([C:23]1:[C:24]([H:43]):[C:25]([H:44]):[C:26]([H:45]):[C:27]([H:46]):[C:28]:1[H:47])([H:48])[H:49])[H:50])[H:51])[H:52])[O:32][H:61].[H][N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:58])([H:59])[H:60])([C:29](=[O:30])[O:31][H:56])[H:57])[H:55])=[O:5])([C:7]([H:33])([H:34])[H:35])[H:54])[H:53]