SMIRKS
[H][C@:2]([N:1]([H:24])[H:25])([C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]:1[H:19])([H:20])[H:21])[C:10](=[O:11])[O:12][H].O=[O:13]>>[C:10](=[O:11])=[O:12].[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]:1[H:19])([H:20])[H:21])=[O:13])([H:24])[H:25]
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-R320
[H][C@:2]([N:1]([H:24])[H:25])([C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]:1[H:19])([H:20])[H:21])[C:10](=[O:11])[O:12][H].[O:13]=[O:14]>>[C:10](=[O:11])=[O:12].[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]:1[H:19])([H:20])[H:21])=[O:13])([H:24])[H:25].[H][O:14][H]