SMIRKS
[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])[O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56].[H]O[C:5]([C:3]([C:2]([N:1]([H:72])[H:73])([H:70])[H:71])([N:4]([H:66])[H:67])[H:69])=[O:6].[H][N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:74]):[N:13]:[C:14]([H:75]):[N:15]:1[H:76])([H:77])[H:78])([C:16](=[O:17])[O:18][H:79])[H:80])[H:81]>>[N:1]([C:2]([C:3]([N:4]([H:66])[H:67])([C:5](=[O:6])[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:74]):[N:13]:[C:14]([H:75]):[N:15]:1[H:76])([H:77])[H:78])([C:16](=[O:17])[O:18][H:79])[H:80])[H:81])[H:69])([H:70])[H:71])([H:72])[H:73].[H][O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56]
Derived Operators
EVODEX.1-F113 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -14 |
EVODEX.1-M24 - Mass Difference
-347.06321999999994
EVODEX.1-E725 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[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])-[#8:182]-[#15:183])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:195]=[#6:196](-[#8]-[H])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#8:182](-[#15:183])-[H]
EVODEX.1-C1146 - Reaction Operator C
[H]-[#8]-[#6:17].[H]-[#7:20].[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])-[#8:45]>>[#6:17]-[#7:20].[H]-[#8:45]
EVODEX.1-N1421 - Reaction Operator N
[H]-[#8]-[#6:17](-[#6:16])=[#8:18].[H]-[#7:20](-[#6@@:21])-[H:81].[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])-[#8:45]-[#15:46]>>[#6:16]-[#6:17](=[#8:18])-[#7:20](-[#6@@:21])-[H:81].[H]-[#8:45]-[#15:46]
EVODEX.1-Em40 - Reaction Operator Em
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
EVODEX.1-Cm59 - Reaction Operator Cm
[#8]-[#6:46].[H]-[#7:49].[#15]-[#8:81]>>[#6:46]-[#7:49].[H]-[#8:81]
EVODEX.1-Nm45 - Reaction Operator Nm
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
Source Full Reactions
EVODEX.1-R7571
[N:19]([C:20]1:[N:21]:[C:22]([H:50]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:51]):[N:28]:2[C@:29]1([H:52])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:53])[O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56])([H:57])[H:58])([H:59])[C@:46]([O:47][H:60])([H:61])[C@:48]1([O:49][H:62])[H:63])([H:64])[H:65].[N:1]([C:2]([C:3]([N:4]([H:66])[H:67])([C:5](=[O:6])[O:7][H:68])[H:69])([H:70])[H:71])([H:72])[H:73].[H][N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:74]):[N:13]:[C:14]([H:75]):[N:15]:1[H:76])([H:77])[H:78])([C:16](=[O:17])[O:18][H:79])[H:80])[H:81]>>[N:1]([C:2]([C:3]([N:4]([H:66])[H:67])([C:5](=[O:6])[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:74]):[N:13]:[C:14]([H:75]):[N:15]:1[H:76])([H:77])[H:78])([C:16](=[O:17])[O:18][H:79])[H:80])[H:81])[H:69])([H:70])[H:71])([H:72])[H:73].[H][O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56].[O:7]([P:34]([O:33][C:32]([C@@:31]1([H:59])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:50]):[N:21]:[C:20]([N:19]([H:64])[H:65]):[C:25]:3:[N:26]:[C:27]:2[H:51])([H:52])[C@@:48]([O:49][H:62])([H:63])[C@@:46]1([O:47][H:60])[H:61])([H:57])[H:58])(=[O:35])[O:36][H:53])[H:68]