SMIRKS
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])([H:27])[H:28]>>[H]N([H])[C:3]([H])([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])[C:5](=[O:6])[O:7][H:23].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:4]
Derived Operators
EVODEX.1-F439 - Elemental Balance
| C | 10 |
| O | 3 |
| N | 2 |
| H | 12 |
EVODEX.1-M422 - Mass Difference
208.08486
EVODEX.1-E1248 - Reaction Operator E
[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#8:8]>>[#6:3]-[#6:5](-[#6:7]=[#8:8])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[#6](-[#6]1:[#6](-[#7](-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C465 - Reaction Operator C
[#6:19]=[#8:20]>>[H]-[#7](-[H])-[#6:19]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])=[#8:20]
EVODEX.1-N565 - Reaction Operator N
[#6:17]-[#6:19](=[#8:20])-[#6:21]>>[H]-[#7](-[H])-[#6:19](-[H])(-[#6:17])-[#6:21].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])=[#8:20]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3826
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][C@@:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])([N:19]([H:33])[H:34])[C:20](=[O:21])[O:22][H:35]>>[H][C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([C:5](=[O:6])[O:7][H:23])[N:19]([H:33])[H:34].[O:4]=[C:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]