SMIRKS
[H]O[C:13]([C@@:8]([N:7]([H:75])[H:76])([C:9]([C:10](=[O:11])[O:12][H:70])([H:71])[H:72])[H:74])=[O:14]>>[H]OC(=O)[C@@]([H])(N([H])[C:13]([C@@:8]([N:7]([H:75])[H:76])([C:9]([C:10](=[O:11])[O:12][H:70])([H:71])[H:72])[H:74])=[O:14])C([H])([H])[H]
Derived Operators
EVODEX.1-F223 - Elemental Balance
| O | 1 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M74 - Mass Difference
71.03715000000001
EVODEX.1-E939 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]
EVODEX.1-C603 - Reaction Operator C
[H]-[#8]-[#6:14]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14])-[#6](-[H])(-[H])-[H]
EVODEX.1-N760 - Reaction Operator N
[H]-[#8]-[#6:14](-[#6@:12])=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14](-[#6@:12])=[#8:15])-[#6](-[H])(-[H])-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R7757
[H][N:3]([C@@:2]([C:1]([H:51])([H:52])[H:53])([C:4](=[O:5])[O:6][H:49])[H:50])[H:47].[N:16]([C:17]1:[N:18]:[C:19]([H:54]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:55]):[N:25]:2[C@:26]1([H:56])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:57])[O:34][P:35](=[O:36])([O:37][H:58])[O:38][P:39](=[O:40])([O:41][H:59])[O:42][H:60])([H:61])[H:62])([H:63])[C@:43]([O:44][H:64])([H:65])[C@:45]1([O:46][H:66])[H:67])([H:68])[H:69].[N:7]([C@@:8]([C:9]([C:10](=[O:11])[O:12][H:70])([H:71])[H:72])([C:13](=[O:14])[O:15][H:73])[H:74])([H:75])[H:76]>>[C:1]([C@:2]([N:3]([C:13]([C@@:8]([N:7]([H:75])[H:76])([C:9]([C:10](=[O:11])[O:12][H:70])([H:71])[H:72])[H:74])=[O:14])[H:47])([C:4](=[O:5])[O:6][H:49])[H:50])([H:51])([H:52])[H:53].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:63])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:54]):[N:18]:[C:17]([N:16]([H:68])[H:69]):[C:22]:3:[N:23]:[C:24]:2[H:55])([H:56])[C@@:45]([O:46][H:66])([H:67])[C@@:43]1([O:44][H:64])[H:65])([H:61])[H:62])(=[O:32])[O:33][H:57])(=[O:36])[O:37][H:58])[H:73].[H][O:38][P:39](=[O:40])([O:41][H:59])[O:42][H:60]