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])OP(=O)(O[H])[O:63][P:64](=[O:65])([O:66][H:77])[O:67][H:78].[H]O[C:32]([C:31]([C:30]([N:29]([C:27]([C:25]([C:24]([C:22]([N:21]([C@@:20]([C:19]([C:18]([C:17]([N:16]([C:14](=[N:13][H:111])[N:15]([H:88])[H:89])[H:110])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([C:38](=[O:39])[O:40][H:102])[H:103])[H:101])=[O:23])([H:99])[H:100])([N:26]([H:90])[H:91])[H:98])=[O:28])[H:97])([C:35](=[O:36])[O:37][H:95])[H:96])([H:93])[H:94])=[O:33].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:125])[N:3]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([C:10](=[O:11])[O:12][H:116])[H:117])[H:114]>>[N:1](=[C:2]([N:3]([H:112])[H:113])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:32]([C:31]([C:30]([N:29]([C:27]([C:25]([C:24]([C:22]([N:21]([C@@:20]([C:19]([C:18]([C:17]([N:16]([C:14](=[N:13][H:111])[N:15]([H:88])[H:89])[H:110])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([C:38](=[O:39])[O:40][H:102])[H:103])[H:101])=[O:23])([H:99])[H:100])([N:26]([H:90])[H:91])[H:98])=[O:28])[H:97])([C:35](=[O:36])[O:37][H:95])[H:96])([H:93])[H:94])=[O:33])[H:114])([C:10](=[O:11])[O:12][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125].[H][O:63][P:64](=[O:65])([O:66][H:77])[O:67][H:78]
Derived Operators
EVODEX.1-F125 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M11 - Mass Difference
-427.02955
EVODEX.1-E753 - Reaction Operator E
[#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])-[#8:63]-[#15:64])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].([#6:19]-[#6@:20](-[#7:21])(-[#6:38])-[H:103].[#6:31]-[#6:32](=[#8:33])-[#8]-[H]).[#7:9](-[#6@:8])(-[H:114])-[H]>>([#7:9](-[#6@:8])(-[#6:32](-[#6:31])=[#8:33])-[H:114].[#7:21]-[#6@@:20](-[#6:19])(-[#6:38])-[H:103]).[#8:63](-[#15:64])-[H]
EVODEX.1-C807 - Reaction Operator C
[H]-[#7:6]-[#6@@:5].[H]-[#8]-[#6:19].[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])-[#8:44]>>[#7:6](-[#6@:5])-[#6:19].[H]-[#8:44]
EVODEX.1-N1018 - Reaction Operator N
[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:7])-[H:56])-[H:53].[H]-[#8]-[#6:19](-[#6@@:11])=[#8:20].[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]-[#15](=[#8])(-[#8]-[H])-[#8:44]-[#15:45]>>[#6:4]-[#6@:5](-[#7:6](-[#6:19](-[#6@@:11])=[#8:20])-[H:53])(-[#6:7])-[H:56].[H]-[#8:44]-[#15:45]
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-R7713
[N:41]([C:42]1:[N:43]:[C:44]([H:72]):[N:45]:[C:46]2:[C:47]:1:[N:48]:[C:49]([H:73]):[N:50]:2[C@:51]1([H:74])[O:52][C@@:53]([C:54]([O:55][P:56](=[O:57])([O:58][H:75])[O:59][P:60](=[O:61])([O:62][H:76])[O:63][P:64](=[O:65])([O:66][H:77])[O:67][H:78])([H:79])[H:80])([H:81])[C@:68]([O:69][H:82])([H:83])[C@:70]1([O:71][H:84])[H:85])([H:86])[H:87].[N:13](=[C:14]([N:15]([H:88])[H:89])[N:16]([C:17]([C:18]([C:19]([C@:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([H:90])[H:91])([C:27](=[O:28])[N:29]([C:30]([C:31]([C:32](=[O:33])[O:34][H:92])([H:93])[H:94])([C:35](=[O:36])[O:37][H:95])[H:96])[H:97])[H:98])([H:99])[H:100])[H:101])([C:38](=[O:39])[O:40][H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])[H:110])[H:111].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:125])[N:3]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([C:10](=[O:11])[O:12][H:116])[H:117])[H:114]>>[N:1](=[C:2]([N:3]([H:112])[H:113])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:32]([C:31]([C:30]([N:29]([C:27]([C:25]([C:24]([C:22]([N:21]([C@@:20]([C:19]([C:18]([C:17]([N:16]([C:14](=[N:13][H:111])[N:15]([H:88])[H:89])[H:110])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([C:38](=[O:39])[O:40][H:102])[H:103])[H:101])=[O:23])([H:99])[H:100])([N:26]([H:90])[H:91])[H:98])=[O:28])[H:97])([C:35](=[O:36])[O:37][H:95])[H:96])([H:93])[H:94])=[O:33])[H:114])([C:10](=[O:11])[O:12][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125].[O:34]([P:60]([O:59][P:56]([O:55][C:54]([C@@:53]1([H:81])[O:52][C@:51]([N:50]2:[C:46]3:[N:45]:[C:44]([H:72]):[N:43]:[C:42]([N:41]([H:86])[H:87]):[C:47]:3:[N:48]:[C:49]:2[H:73])([H:74])[C@@:70]([O:71][H:84])([H:85])[C@@:68]1([O:69][H:82])[H:83])([H:79])[H:80])(=[O:57])[O:58][H:75])(=[O:61])[O:62][H:76])[H:92].[H][O:63][P:64](=[O:65])([O:66][H:77])[O:67][H:78]