SMIRKS
[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([C:7](=[O:8])[O:9][H:49])[H:50])[H:47]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([C:7](=[O:8])[O:9][H:49])[H:50])[H:47]
Derived Operators
EVODEX.1-F223 - Elemental Balance
| O | 1 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M74 - Mass Difference
71.03715000000001
EVODEX.1-E937 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:49])-[H]>>[#7:5](-[#6@:4])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:49]
EVODEX.1-C582 - Reaction Operator C
[H]-[#7:6]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6]
EVODEX.1-N738 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:47]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:47]
Source Full Reactions
EVODEX.1-R7773
[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([C:7](=[O:8])[O:9][H:49])[H:50])[H:47].[N:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64].[N:16]([C:17]1:[N:18]:[C:19]([H:65]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:66]):[N:25]:2[C@:26]1([H:67])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:68])[O:34][P:35](=[O:36])([O:37][H:69])[O:38][P:39](=[O:40])([O:41][H:70])[O:42][H:71])([H:72])[H:73])([H:74])[C@:43]([O:44][H:75])([H:76])[C@:45]1([O:46][H:77])[H:78])([H:79])[H:80]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:13]([C:12]([C:11]([N:10]([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])=[O:14])[H:47])([C:7](=[O:8])[O:9][H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:74])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:65]):[N:18]:[C:17]([N:16]([H:79])[H:80]):[C:22]:3:[N:23]:[C:24]:2[H:66])([H:67])[C@@:45]([O:46][H:77])([H:78])[C@@:43]1([O:44][H:75])[H:76])([H:72])[H:73])(=[O:32])[O:33][H:68])(=[O:36])[O:37][H:69])[H:58].[H][O:38][P:39](=[O:40])([O:41][H:70])[O:42][H:71]