SMIRKS
[H][C@@:10]([C:9]([C:8]1:[C:7]([H:22]):[N:6]([H:21]):[C:5]2:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:30])([H:31])[H:32]):[C:16]([H:29]):[C:15]:2:1)([H:27])[H:28])([N:11]([H:23])[H:24])[C:12](=[O:13])[O:14][H].O=[O:17]>>[C:12](=[O:13])=[O:14].[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]2:[N:6]([H:21]):[C:7]([H:22]):[C:8]([C:9]([C:10]([N:11]([H:23])[H:24])=[O:17])([H:27])[H:28]):[C:15]:2:[C:16]:1[H:29])([H:30])([H:31])[H:32]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E497 - Reaction Operator E
[#7:2]-[#6:3](-[#6:4])(-[#6:11](=[#8:12])-[#8:13]-[H])-[H].[#8:14]=[#8]>>[#6:11](=[#8:12])=[#8:13].[#7:2]-[#6:3](-[#6:4])=[#8:14]
EVODEX.1-C207 - Reaction Operator C
[H]-[#6@:2]-[#6:10]-[#8:12]-[H].[#8]=[#8:13]>>[#6:10]=[#8:12].[#6:2]=[#8:13]
EVODEX.1-N144 - Reaction Operator N
[H]-[#6@:2](-[#7:1])(-[#6:3])-[#6:10](=[#8:11])-[#8:12]-[H].[#8]=[#8:13]>>[#6:10](=[#8:11])=[#8:12].[#7:1]-[#6:2](-[#6:3])=[#8:13]
EVODEX.1-Em227 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10](=[#8:11])-[#8:12]-[H].[#8]=[#8:13]>>[#6:10](=[#8:11])=[#8:12].[#7:1]-[#6:2](-[#6:3])=[#8:13]
EVODEX.1-Cm185 - Reaction Operator Cm
[H]-[#6:2]-[#6:10]-[#8:12]-[H].[#8]=[#8:13]>>[#6:10]=[#8:12].[#6:2]=[#8:13]
EVODEX.1-Nm226 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10](=[#8:11])-[#8:12]-[H].[#8]=[#8:13]>>[#6:10](=[#8:11])=[#8:12].[#7:1]-[#6:2](-[#6:3])=[#8:13]
Source Full Reactions
EVODEX.1-R319
[H][C@@:10]([C:9]([C:8]1:[C:7]([H:22]):[N:6]([H:21]):[C:5]2:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:30])([H:31])[H:32]):[C:16]([H:29]):[C:15]:2:1)([H:27])[H:28])([N:11]([H:23])[H:24])[C:12](=[O:13])[O:14][H].[O:17]=[O:18]>>[C:12](=[O:13])=[O:14].[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]2:[N:6]([H:21]):[C:7]([H:22]):[C:8]([C:9]([C:10]([N:11]([H:23])[H:24])=[O:17])([H:27])[H:28]):[C:15]:2:[C:16]:1[H:29])([H:30])([H:31])[H:32].[H][O:18][H]