SMIRKS
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:49])([H:50])[H:51])[H:58])([H:56])[H:57])([C:7](=[O:8])[O:9][H:54])[H:55])[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:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68]>>[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:49])([H:50])[H:51])[H:58])([H:56])[H:57])([C:7](=[O:8])[O:9][H:54])[H:55])[H:52].[H][O:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68]
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-R7795
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:49])([H:50])[H:51])[H:58])([H:56])[H:57])([C:7](=[O:8])[O:9][H:54])[H:55])[H:52].[N:10]([C:11]1:[N:12]:[C:13]([H:62]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:63]):[N:19]:2[C@:20]1([H:64])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:65])[O:28][P:29](=[O:30])([O:31][H:66])[O:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]1([O:40][H:74])[H:75])([H:76])[H:77].[O:41]=[C:42]([O:43][H:78])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])([C:4]([C@:5]([N:6]([C:42](=[O:41])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86])[H:52])([C:7](=[O:8])[O:9][H:54])[H:55])([H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[N:10]([C:11]1:[N:12]:[C:13]([H:62]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:63]):[N:19]:2[C@:20]1([H:64])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:65])[O:28][P:29](=[O:30])([O:31][H:66])[O:43][H:78])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]1([O:40][H:74])[H:75])([H:76])[H:77].[H][O:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68]