SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:41]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][H:42])[H:43])[H:44]):[C:11]([H:45]):[C:12]([H:46]):[C:13]:1[O:14][H:47])([H:48])([H:49])[H:50]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:1]([H:48])([H:49])[H:50].[H][O:2][C:3]1:[C:4]([H:41]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][H:42])[H:43])[H:44]):[C:11]([H:45]):[C:12]([H:46]):[C:13]:1[O:14][H:47]
Derived Operators
EVODEX.1-F290 - Elemental Balance
| O | 5 |
| C | 14 |
| S | 1 |
| N | 6 |
| H | 21 |
EVODEX.1-M316 - Mass Difference
385.12963
EVODEX.1-E1055 - Reaction Operator E
[#6:1](-[#8:2]-[#6:3])(-[H:48])(-[H:49])-[H:50]>>[#6:1](-[#16](-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H:48])(-[H:49])-[H:50].[#8:2](-[#6:3])-[H]
EVODEX.1-C255 - Reaction Operator C
[#6:1]-[#8:2]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:1].[H]-[#8:2]
EVODEX.1-N274 - Reaction Operator N
[#6:1](-[#8:2]-[#6:3])(-[H:48])(-[H:49])-[H:50]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:1](-[H:48])(-[H:49])-[H:50].[H]-[#8:2]-[#6:3]
EVODEX.1-Em399 - Reaction Operator Em
[#6:1]-[#8:2]-[#6:3]>>[#6]-[#16](-[#6])-[#6:1].[H]-[#8:2]-[#6:3]
EVODEX.1-Nm359 - Reaction Operator Nm
[#6:1]-[#8:2]-[#6:3]>>[#6]-[#16](-[#6])-[#6:1].[H]-[#8:2]-[#6:3]
Source Full Reactions
EVODEX.1-R1740
[C:1]([O:2][C:3]1:[C:4]([H:41]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][H:42])[H:43])[H:44]):[C:11]([H:45]):[C:12]([H:46]):[C:13]:1[O:14][H:47])([H:48])([H:49])[H:50].[HH].[N:15]([C:16]1:[N:17]:[C:18]([H:51]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:52]):[N:24]:2[C@:25]1([H:53])[O:26][C@@:27]([C:28]([S:29][C:30]([C:31]([C@:32]([N:33]([H:54])[H:55])([C:34](=[O:35])[O:36][H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[C@:37]([O:38][H:65])([H:66])[C@:39]1([O:40][H:67])[H:68])([H:69])[H:70]>>[C:1]([S+:29]([C:28]([C@@:27]1([H:64])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:51]):[N:17]:[C:16]([N:15]([H:69])[H:70]):[C:21]:3:[N:22]:[C:23]:2[H:52])([H:53])[C@@:39]([O:40][H:67])([H:68])[C@@:37]1([O:38][H:65])[H:66])([H:62])[H:63])[C:30]([C:31]([C@:32]([N:33]([H:54])[H:55])([C:34](=[O:35])[O:36][H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:48])([H:49])[H:50].[H][O:2][C:3]1:[C:4]([H:41]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][H:42])[H:43])[H:44]):[C:11]([H:45]):[C:12]([H:46]):[C:13]:1[O:14][H:47]