SMIRKS
[H][N:1]([C@@:2]([C:3]([O:4][H:47])([H:48])[H:49])([C:5](=[O:6])[O:7][H:50])[H:51])[H:52].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:30][P:31](=[O:32])([O:33][H:59])[O:34][H:60]>>[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:1]([C@@:2]([C:3]([O:4][H:47])([H:48])[H:49])([C:5](=[O:6])[O:7][H:50])[H:51])[H:52].[H][O:30][P:31](=[O:32])([O:33][H:59])[O:34][H:60]
Derived Operators
EVODEX.1-F568 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -5 |
| N | -4 |
| H | -6 |
EVODEX.1-M536 - Mass Difference
-311.96618
EVODEX.1-E1391 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:31]-[#15:32])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51].[#8:31](-[#15:32])-[H]
EVODEX.1-C847 - Reaction Operator C
[H]-[#7:1].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:30]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:1].[H]-[#8:30]
EVODEX.1-N1058 - 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]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:30]-[#15:31]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:52].[H]-[#8:30]-[#15:31]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
Source Full Reactions
EVODEX.1-R7797
[H][N:1]([C@@:2]([C:3]([O:4][H:47])([H:48])[H:49])([C:5](=[O:6])[O:7][H:50])[H:51])[H:52].[N:8]([C:9]1:[N:10]:[C:11]([H:54]):[N:12]:[C:13]2:[C:14]:1:[N:15]:[C:16]([H:55]):[N:17]:2[C@:18]1([H:56])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:57])[O:26][P:27](=[O:28])([O:29][H:58])[O:30][P:31](=[O:32])([O:33][H:59])[O:34][H:60])([H:61])[H:62])([H:63])[C@:35]([O:36][H:64])([H:65])[C@:37]1([O:38][H:66])[H:67])([H:68])[H:69].[O:39]=[C:40]([O:41][H:70])[C@:42]1([H:71])[C:43]([H:72])([H:73])[C:44]([H:74])([H:75])[C:45]([H:76])([H:77])[N:46]1[H:78]>>[N:8]([C:9]1:[N:10]:[C:11]([H:54]):[N:12]:[C:13]2:[C:14]:1:[N:15]:[C:16]([H:55]):[N:17]:2[C@:18]1([H:56])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:57])[O:26][P:27](=[O:28])([O:29][H:58])[O:41][H:70])([H:61])[H:62])([H:63])[C@:35]([O:36][H:64])([H:65])[C@:37]1([O:38][H:66])[H:67])([H:68])[H:69].[N:1]([C@@:2]([C:3]([O:4][H:47])([H:48])[H:49])([C:5](=[O:6])[O:7][H:50])[H:51])([C:40](=[O:39])[C@:42]1([H:71])[C:43]([H:72])([H:73])[C:44]([H:74])([H:75])[C:45]([H:76])([H:77])[N:46]1[H:78])[H:52].[H][O:30][P:31](=[O:32])([O:33][H:59])[O:34][H:60]