SMIRKS
[H][C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:17](=[O:18])[O:19][H]>>[C:17](=[O:18])=[O:19].[H]O[C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28]
Derived Operators
EVODEX.1-F135 - Elemental Balance
| O | -2 |
| C | -4 |
| H | -6 |
EVODEX.1-M66 - Mass Difference
-86.03678000000001
EVODEX.1-E784 - Reaction Operator E
[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#6:17](=[#8:18])-[#8:19]-[H])(-[H])-[H])(-[H])-[H]>>[#6:17](=[#8:18])=[#8:19].[#6:4](-[#6@:3])(-[#8]-[H])(-[H:22])-[H:23]
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-N172 - Reaction Operator N
[H]-[#6:1](-[#6:2])(-[H:27])-[H:28].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1](-[#6:2])(-[H:27])-[H:28]
EVODEX.1-Em254 - Reaction Operator Em
[H]-[#6:1]-[#6:2].[#6]-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2]
EVODEX.1-Cm53 - Reaction Operator Cm
[H]-[#6:1].[#6]-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[#8]-[#6:1]
EVODEX.1-Nm252 - Reaction Operator Nm
[H]-[#6:1]-[#6:2].[#6]-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2]
Source Full Reactions
EVODEX.1-R408
[H][C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28].[H][O:19][C:17]([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:30])([H:34])[H:35])([H:32])[H:33])=[O:16])=[O:18].[O:20]=[O:21]>>[C:17](=[O:18])=[O:19].[H][O:20][C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28].[H][O:21][C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:30])([H:34])[H:35])([H:32])[H:33])=[O:16]