SMIRKS
[H][N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:1[H:48])[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@@:27]1([H:56])[O:28][C@@:29]([C:30]([O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@@:34]([O:35][H:63])([H:64])[C@:36]1([O:37][H:65])[H:66]>>[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:1[H:48])([C:27]1([H:56])[O:28][C@@:29]([C:30]([O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@@:34]([O:35][H:63])([H:64])[C@:36]1([O:37][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-R3220
[H][N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:1[H:48])[H:49].[O:9]=[C:10]1:[C:11]([H:51]):[C:12]([H:52]):[N:13]([C@:14]2([H:53])[O:15][C@@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:54])[O:22][P:23](=[O:24])([O:25][H:55])[O:26][C@@:27]3([H:56])[O:28][C@@:29]([C:30]([O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@@:34]([O:35][H:63])([H:64])[C@:36]3([O:37][H:65])[H:66])([H:67])[H:68])([H:69])[C@:38]([O:39][H:70])([H:71])[C@:40]2([O:41][H:72])[H:73]):[C:42](=[O:43]):[N:44]:1[H:74]>>[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[C:5]([H:47]):[C:6]([Cl:7]):[C:8]:1[H:48])([C:27]1([H:56])[O:28][C@@:29]([C:30]([O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@@:34]([O:35][H:63])([H:64])[C@:36]1([O:37][H:65])[H:66])[H:49].[H][O:26][P:23]([O:22][P:19]([O:18][C:17]([C@@:16]1([H:69])[O:15][C@:14]([N:13]2:[C:12]([H:52]):[C:11]([H:51]):[C:10](=[O:9]):[N:44]([H:74]):[C:42]:2=[O:43])([H:53])[C@@:40]([O:41][H:72])([H:73])[C@@:38]1([O:39][H:70])[H:71])([H:67])[H:68])(=[O:20])[O:21][H:54])(=[O:24])[O:25][H:55]