SMIRKS
[H][N:5]([C@@:4]([C:3]([C:2]([C:1]([H:58])([H:59])[H:60])([H:56])[H:57])([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:84])[H:85])([C:16](=[O:17])[O:18][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:14]>>[C:1]([C:2]([C:3]([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:84])[H:85])([C:16](=[O:17])[O:18][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:14])[H:50])([C:6](=[O:7])[O:8][H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60]
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-N1431 - Reaction Operator N
[H]-[#8]-[#6:32](-[#6:31])=[#8:33].[H]-[#7:9](-[#6@@:8](-[#6:7])(-[#6:10])-[H:117])-[H:114]>>[#6:7]-[#6@:8](-[#7:9](-[#6:32](-[#6:31])=[#8:33])-[H:114])(-[#6:10])-[H:117]
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-R7681
[H][N:5]([C@@:4]([C:3]([C:2]([C:1]([H:58])([H:59])[H:60])([H:56])[H:57])([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:61]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:62]):[N:28]:2[C@:29]1([H:63])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:64])[O:37][P:38](=[O:39])([O:40][H:65])[O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67])([H:68])[H:69])([H:70])[C@:46]([O:47][H:71])([H:72])[C@:48]1([O:49][H:73])[H:74])([H:75])[H:76].[N:9]([C@@:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:77])([H:78])[H:79])([H:80])[H:81])([C:16](=[O:17])[O:18][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C:3]([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:84])[H:85])([C:16](=[O:17])[O:18][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:14])[H:50])([C:6](=[O:7])[O:8][H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[O:15]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:70])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:61]):[N:21]:[C:20]([N:19]([H:75])[H:76]):[C:25]:3:[N:26]:[C:27]:2[H:62])([H:63])[C@@:48]([O:49][H:73])([H:74])[C@@:46]1([O:47][H:71])[H:72])([H:68])[H:69])(=[O:35])[O:36][H:64])(=[O:39])[O:40][H:65])[H:77].[H][O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67]