SMIRKS
[H]N([H])[C:2]([H])([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([N:14]([C:15]([C:16]1:[C:17]([H:24]):[C:18]([H:25]):[C:19]([H:26]):[S:20]:1)([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52].[O:22]=[O:23]>>O=[C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([N:14]([C:15]([C:16]1:[C:17]([H:24]):[C:18]([H:25]):[C:19]([H:26]):[S:20]:1)([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52].[H][O:22][O:23][H]
Derived Operators
EVODEX.1-F74 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-E638 - Reaction Operator E
[#6:2]-[#6:4](-[#7](-[H])-[H])(-[H:12])-[H].[#8:7]=[#8:8]>>[#6:2]-[#6:4](=[#8])-[H:12].[#8:7](-[#8:8]-[H])-[H]
EVODEX.1-C61 - Reaction Operator C
[H]-[#7](-[H])-[#6:7]-[H].[#8:11]=[#8:12]>>[#8]=[#6:7].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-N233 - Reaction Operator N
[H]-[#7](-[H])-[#6:7](-[H])(-[#6:6])-[H:18].[#8:11]=[#8:12]>>[#8]=[#6:7](-[#6:6])-[H:18].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-Em348 - Reaction Operator Em
[H]-[#7](-[H])-[#6:7](-[H])-[#6:6].[#8:11]=[#8:12]>>[#8]=[#6:7]-[#6:6].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-Cm98 - Reaction Operator Cm
[#7]-[#6:7]-[H].[#8:11]=[#8:12]>>[#8]=[#6:7].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-Nm315 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:7](-[H])-[#6:6].[#8:11]=[#8:12]>>[#8]=[#6:7]-[#6:6].[H]-[#8:11]-[#8:12]-[H]
Source Full Reactions
EVODEX.1-R1009
[H][C:2]([N:1]([H:54])[H:55])([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([N:14]([C:15]([C:16]1:[C:17]([H:24]):[C:18]([H:25]):[C:19]([H:26]):[S:20]:1)([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52].[O:22]=[O:23].[H][O:21][H]>>[C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([N:14]([C:15]([C:16]1:[C:17]([H:24]):[C:18]([H:25]):[C:19]([H:26]):[S:20]:1)([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])(=[O:21])[H:52].[H][N:1]([H:54])[H:55].[H][O:22][O:23][H]