SMIRKS
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
Derived Operators
EVODEX.1-F567 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 5 |
| N | 1 |
| H | 6 |
EVODEX.1-M535 - Mass Difference
17.08648
EVODEX.1-E1390 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H].[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51].[#8]-[H]
EVODEX.1-C846 - Reaction Operator C
[H]-[#7:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6].[H]-[#8]
EVODEX.1-N1057 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:49].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:49].[H]-[#8]
Source Full Reactions
EVODEX.1-R7796
[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([C:7](=[O:8])[O:9][H:51])[H:52])[H:49].[N:10]([C:11]1:[N:12]:[C:13]([H:60]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:61]):[N:19]:2[C@:20]1([H:62])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:28][P:29](=[O:30])([O:31][H:64])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][H:66])([H:67])[H:68])([H:69])[C@:37]([O:38][H:70])([H:71])[C@:39]1([O:40][H:72])[H:73])([H:74])[H:75].[O:41]=[C:42]([O:43][H:76])[C@:44]1([H:77])[C:45]([H:78])([H:79])[C:46]([H:80])([H:81])[C:47]([H:82])([H:83])[N:48]1[H:84]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:42](=[O:41])[C@:44]1([H:77])[C:45]([H:78])([H:79])[C:46]([H:80])([H:81])[C:47]([H:82])([H:83])[N:48]1[H:84])[H:49])([C:7](=[O:8])[O:9][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[N:10]([C:11]1:[N:12]:[C:13]([H:60]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:61]):[N:19]:2[C@:20]1([H:62])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:28][P:29](=[O:30])([O:31][H:64])[O:43][H:76])([H:67])[H:68])([H:69])[C@:37]([O:38][H:70])([H:71])[C@:39]1([O:40][H:72])[H:73])([H:74])[H:75].[H][O:32][P:33](=[O:34])([O:35][H:65])[O:36][H:66]