SMIRKS
[H][N:5]([C@@:4]([C:2]([C:1]([H:60])([H:61])[H:62])([C:3]([H:52])([H:53])[H:54])[H:59])([C:6](=[O:7])[O:8][H:57])[H:58])[H:55].[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:43][P:44](=[O:45])([O:46][H:68])[O:47][H:69]>>[H]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C:2]([C:1]([H:60])([H:61])[H:62])([C:3]([H:52])([H:53])[H:54])[H:59])([C:6](=[O:7])[O:8][H:57])[H:58])[H:55])N([H])[H]):C([H]):C:1[H].[H][O:43][P:44](=[O:45])([O:46][H:68])[O:47][H:69]
Derived Operators
EVODEX.1-F572 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -1 |
| N | -4 |
| H | -4 |
EVODEX.1-M540 - Mass Difference
-261.95052
EVODEX.1-E1395 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:56])-[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])-[#8:42]-[#15:43])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:56].[#8:42](-[#15:43])-[H]
EVODEX.1-C845 - Reaction Operator C
[H]-[#7:5].[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])-[#8:43]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]
EVODEX.1-N1056 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:55].[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])-[#8:43]-[#15:44]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:55])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]-[#15:44]
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-R7787
[H][N:5]([C@@:4]([C:2]([C:1]([H:60])([H:61])[H:62])([C:3]([H:52])([H:53])[H:54])[H:59])([C:6](=[O:7])[O:8][H:57])[H:58])[H:55].[N:21]([C:22]1:[N:23]:[C:24]([H:63]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:64]):[N:30]:2[C@:31]1([H:65])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:66])[O:39][P:40](=[O:41])([O:42][H:67])[O:43][P:44](=[O:45])([O:46][H:68])[O:47][H:69])([H:70])[H:71])([H:72])[C@:48]([O:49][H:73])([H:74])[C@:50]1([O:51][H:75])[H:76])([H:77])[H:78].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:79]):[C:14]([H:80]):[C:15]([H:81]):[C:16]([H:82]):[C:17]:1[H:83])([H:84])[H:85])([C:18](=[O:19])[O:20][H:86])[H:87])([H:88])[H:89]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C@:4]([N:5]([C:18]([C@@:10]([N:9]([H:88])[H:89])([C:11]([C:12]1:[C:13]([H:79]):[C:14]([H:80]):[C:15]([H:81]):[C:16]([H:82]):[C:17]:1[H:83])([H:84])[H:85])[H:87])=[O:19])[H:55])([C:6](=[O:7])[O:8][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[O:20]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:72])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:63]):[N:23]:[C:22]([N:21]([H:77])[H:78]):[C:27]:3:[N:28]:[C:29]:2[H:64])([H:65])[C@@:50]([O:51][H:75])([H:76])[C@@:48]1([O:49][H:73])[H:74])([H:70])[H:71])(=[O:37])[O:38][H:66])(=[O:41])[O:42][H:67])[H:86].[H][O:43][P:44](=[O:45])([O:46][H:68])[O:47][H:69]