SMIRKS
[H][C:2]([C:1]([H:29])([H:30])[H:31])([C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])[H:27].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:16](=[O:17])[O:18][H]>>[C:16](=[O:17])=[O:18].[H]O[C@@:2]([C:1]([H:29])([H:30])[H:31])([C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])[H:27]
Derived Operators
EVODEX.1-F135 - Elemental Balance
| O | -2 |
| C | -4 |
| H | -6 |
EVODEX.1-M66 - Mass Difference
-86.03678000000001
EVODEX.1-E785 - Reaction Operator E
[#6:12]-[#6:13](-[H:33])(-[H])-[#6@@:14].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#6:8](=[#8:9])-[#8:10]-[H])(-[H])-[H])(-[H])-[H]>>[#6:8](=[#8:9])=[#8:10].[#6:12]-[#6@:13](-[#8]-[H])(-[H:33])-[#6@@:14]
EVODEX.1-C51 - Reaction Operator C
[H]-[#6:1].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[H]-[#8]-[#6:1]
EVODEX.1-N150 - Reaction Operator N
[H]-[#6:2](-[#6:1])(-[#6:3])-[H:27].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:16](=[#8:17])-[#8:18]-[H]>>[#6:16](=[#8:17])=[#8:18].[H]-[#8]-[#6@@:2](-[#6:1])(-[#6:3])-[H:27]
EVODEX.1-Em232 - Reaction Operator Em
[H]-[#6:2](-[#6:1])-[#6:3].[#6]-[#6](=[#8])-[#6:16](=[#8:17])-[#8:18]-[H]>>[#6:16](=[#8:17])=[#8:18].[H]-[#8]-[#6:2](-[#6:1])-[#6:3]
EVODEX.1-Cm53 - Reaction Operator Cm
[H]-[#6:1].[#6]-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[#8]-[#6:1]
EVODEX.1-Nm230 - Reaction Operator Nm
[H]-[#6:2](-[#6:1])-[#6:3].[#6]-[#6](=[#8])-[#6:16](=[#8:17])-[#8:18]-[H]>>[#6:16](=[#8:17])=[#8:18].[H]-[#8]-[#6:2](-[#6:1])-[#6:3]
Source Full Reactions
EVODEX.1-R398
[H][C:2]([C:1]([H:29])([H:30])[H:31])([C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])[H:27].[O:19]=[O:20].[H][O:18][C:16]([C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:32])([H:36])[H:37])([H:34])[H:35])=[O:15])=[O:17]>>[C:16](=[O:17])=[O:18].[H][O:19][C@@:2]([C:1]([H:29])([H:30])[H:31])([C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])[H:27].[H][O:20][C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:32])([H:36])[H:37])([H:34])[H:35])=[O:15]