SMIRKS
[H][C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([C:5](=[O:6])[O:7][H:20])[H:21].O=[O:18].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:15](=[O:16])[O:17][H]>>[C:15](=[O:16])=[O:17].[H][O:18][C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([C:5](=[O:6])[O:7][H:20])[H:21]
Derived Operators
EVODEX.1-F133 - Elemental Balance
| O | -4 |
| C | -4 |
| H | -6 |
EVODEX.1-M44 - Mass Difference
-118.02658
EVODEX.1-E776 - 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].[#8]=[#8:32]>>[#6:8](=[#8:9])=[#8:10].[#6:12]-[#6@:13](-[#8:32]-[H])(-[H:33])-[#6@@:14]
EVODEX.1-C53 - Reaction Operator C
[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:17]-[#8:19]-[H].[#8]=[#8:20]>>[#6:17]=[#8:19].[H]-[#8:20]-[#6:4]
EVODEX.1-N152 - Reaction Operator N
[H]-[#6:95](-[#6@:94])(-[#6:96])-[H:227].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:120](=[#8:121])-[#8:122]-[H].[#8]=[#8:123]>>[#6:120](=[#8:121])=[#8:122].[H]-[#8:123]-[#6@:95](-[#6@:94])(-[#6:96])-[H:227]
EVODEX.1-Em234 - Reaction Operator Em
[H]-[#6:95](-[#6:94])-[#6:96].[#6]-[#6](=[#8])-[#6:120](=[#8:121])-[#8:122]-[H].[#8]=[#8:123]>>[#6:120](=[#8:121])=[#8:122].[H]-[#8:123]-[#6:95](-[#6:94])-[#6:96]
EVODEX.1-Cm54 - Reaction Operator Cm
[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]
EVODEX.1-Nm232 - Reaction Operator Nm
[H]-[#6:95](-[#6:94])-[#6:96].[#6]-[#6](=[#8])-[#6:120](=[#8:121])-[#8:122]-[H].[#8]=[#8:123]>>[#6:120](=[#8:121])=[#8:122].[H]-[#8:123]-[#6:95](-[#6:94])-[#6:96]
Source Full Reactions
EVODEX.1-R354
[H][C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([C:5](=[O:6])[O:7][H:20])[H:21].[O:18]=[O:19].[H][O:17][C:15]([C:13]([C:12]([C:11]([C:9](=[O:8])[O:10][H:30])([H:34])[H:35])([H:32])[H:33])=[O:14])=[O:16]>>[C:15](=[O:16])=[O:17].[H][O:18][C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([C:5](=[O:6])[O:7][H:20])[H:21].[H][O:19][C:13]([C:12]([C:11]([C:9](=[O:8])[O:10][H:30])([H:34])[H:35])([H:32])[H:33])=[O:14]