SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:14]([C@:4]([C:2]([C:1]([H:53])([H:54])[H:55])([C:3]([H:29])([H:30])[H:31])[H:52])([N:5]([C:6](=[O:7])[C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])[H:37])[H:51])=[O:15].[H][O:28][H:56]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C@:4]([N:5]([C:6](=[O:7])[C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])[H:37])([C:14](=[O:15])[O:28][H:56])[H:51])[H:52])([H:53])([H:54])[H:55]
Derived Operators
EVODEX.1-F440 - Elemental Balance
| C | -6 |
| N | -4 |
| O | -2 |
| H | -14 |
EVODEX.1-M423 - Mass Difference
-174.11182000000002
EVODEX.1-E1249 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:16](-[H:33])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:16]-[H:33]
EVODEX.1-C1010 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:26].[H]-[#8:40]>>[#6:26]-[#8:40]
EVODEX.1-N1263 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:26](-[#6@@:18])=[#8:27].[H]-[#8:40]-[H:88]>>[#6:26](-[#6@@:18])(=[#8:27])-[#8:40]-[H:88]
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-R5702
[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C@:4]([N:5]([C:6](=[O:7])[C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])[H:37])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]([C:20]([N:21]([C:22](=[N:23][H:38])[N:24]([H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([C:25](=[O:26])[O:27][H:48])[H:49])[H:50])[H:51])[H:52])([H:53])([H:54])[H:55].[H][O:28][H:56]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C@:4]([N:5]([C:6](=[O:7])[C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])[H:37])([C:14](=[O:15])[O:28][H:56])[H:51])[H:52])([H:53])([H:54])[H:55].[H][N:16]([C@@:17]([C:18]([C:19]([C:20]([N:21]([C:22](=[N:23][H:38])[N:24]([H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([C:25](=[O:26])[O:27][H:48])[H:49])[H:50]