SMIRKS
[H][N:5]([C:4]([C:3]([O:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([C:6](=[O:7])[O:8][H:52])[H:53])[H:50].[H]O[C:13]([C:12]([C:11]([C@:10]([N:9]([H:82])[H:83])([C:16](=[O:17])[O:18][H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:14]>>[C:1]([O:2][C:3]([C:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:82])[H:83])([C:16](=[O:17])[O:18][H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:14])[H:50])([C:6](=[O:7])[O:8][H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E500 - Reaction Operator E
[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#8]-[H])(-[#6:18])-[H:58].[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:18])-[H:58])=[#8:16])-[H:70]
EVODEX.1-N8 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:60].[H]-[#8]-[#6:16](-[#6@@:13])=[#8:17]>>[#7:1](-[#6:2])(-[#6:16](-[#6@@:13])=[#8:17])-[H:60]
EVODEX.1-Em33 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
EVODEX.1-Nm34 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
Source Full Reactions
EVODEX.1-R7669
[H][N:5]([C:4]([C:3]([O:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([C:6](=[O:7])[O:8][H:52])[H:53])[H:50].[N:19]([C:20]1:[N:21]:[C:22]([H:59]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:60]):[N:28]:2[C@:29]1([H:61])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:62])[O:37][P:38](=[O:39])([O:40][H:63])[O:41][P:42](=[O:43])([O:44][H:64])[O:45][H:65])([H:66])[H:67])([H:68])[C@:46]([O:47][H:69])([H:70])[C@:48]1([O:49][H:71])[H:72])([H:73])[H:74].[N:9]([C@@:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:75])([H:76])[H:77])([H:78])[H:79])([C:16](=[O:17])[O:18][H:80])[H:81])([H:82])[H:83]>>[C:1]([O:2][C:3]([C:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:82])[H:83])([C:16](=[O:17])[O:18][H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:14])[H:50])([C:6](=[O:7])[O:8][H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[O:15]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:68])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:59]):[N:21]:[C:20]([N:19]([H:73])[H:74]):[C:25]:3:[N:26]:[C:27]:2[H:60])([H:61])[C@@:48]([O:49][H:71])([H:72])[C@@:46]1([O:47][H:69])[H:70])([H:66])[H:67])(=[O:35])[O:36][H:62])(=[O:39])[O:40][H:63])[H:75].[H][O:41][P:42](=[O:43])([O:44][H:64])[O:45][H:65]