SMIRKS
[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66]>>[N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])([C:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66])[H:49]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1111 - Reaction Operator E
[#6:12]-[#7:13](-[H:51])-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:33](-[H:81])(-[#8:34])-[#6@:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:12]-[#7:13](-[#6:33](-[H:81])(-[#8:34])-[#6@:42])-[H:51]
EVODEX.1-C386 - Reaction Operator C
[H]-[#7:1].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:31]>>[#7:1]-[#6@:31]
EVODEX.1-N462 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:52].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:31](-[H:59])(-[#8:32])-[#6@:40]>>[#7:1](-[#6:2])(-[#6@:31](-[H:59])(-[#8:32])-[#6@:40])-[H:52]
EVODEX.1-Em500 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#15]-[#8]-[#6:31](-[#8:32])-[#6:40]>>[#7:1](-[#6:2])-[#6:31](-[#8:32])-[#6:40]
EVODEX.1-Nm451 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#15]-[#8]-[#6:31](-[#8:32])-[#6:40]>>[#7:1](-[#6:2])-[#6:31](-[#8:32])-[#6:40]
Source Full Reactions
EVODEX.1-R3226
[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49].[O:10]=[C:11]1:[C:12]([H:51]):[C:13]([H:52]):[N:14]([C@:15]2([H:53])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][C@@:28]3([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]3([O:38][H:65])[H:66])([H:67])[H:68])([H:69])[C@:39]([O:40][H:70])([H:71])[C@:41]2([O:42][H:72])[H:73]):[C:43](=[O:44]):[N:45]:1[H:74]>>[N:1]([C:2]1:[C:3]([H:46]):[C:4]([Br:5]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[Br:9])([C:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66])[H:49].[H][O:27][P:24]([O:23][P:20]([O:19][C:18]([C@@:17]1([H:69])[O:16][C@:15]([N:14]2:[C:13]([H:52]):[C:12]([H:51]):[C:11](=[O:10]):[N:45]([H:74]):[C:43]:2=[O:44])([H:53])[C@@:41]([O:42][H:72])([H:73])[C@@:39]1([O:40][H:70])[H:71])([H:67])[H:68])(=[O:21])[O:22][H:54])(=[O:25])[O:26][H:55]