SMIRKS
[H][C@@:7]([C:6]([C:5]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])[H:26])([H:24])[H:25])([H:22])[H:23])([N:8]([H:18])[H:19])[C:9](=[O:10])[O:11][H].O=[O:12]>>[C:9](=[O:10])=[O:11].[C:1]([C:2]([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])([C:5]([C:6]([C:7]([N:8]([H:18])[H:19])=[O:12])([H:22])[H:23])([H:24])[H:25])[H:26])([H:27])([H:28])[H:29]
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-R313
[H][C@@:7]([C:6]([C:5]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])[H:26])([H:24])[H:25])([H:22])[H:23])([N:8]([H:18])[H:19])[C:9](=[O:10])[O:11][H].[O:12]=[O:13]>>[C:9](=[O:10])=[O:11].[C:1]([C:2]([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])([C:5]([C:6]([C:7]([N:8]([H:18])[H:19])=[O:12])([H:22])[H:23])([H:24])[H:25])[H:26])([H:27])([H:28])[H:29].[H][O:13][H]