EVODEX.1-P2454 - Partial Reaction

SMIRKS

[H][O:24][P:22]([O:21][C:20]([C:19]([C:17]([C:16]([C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:7]([C:6]([C:5]([C:4]([C:2]([C:1]([H:105])([H:106])[H:107])([C:3]([H:65])([H:66])[H:67])[H:104])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([C:8]([H:68])([H:69])[H:70])[H:97])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([C:13]([H:71])([H:72])[H:73])[H:90])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([C:18]([H:74])([H:75])[H:76])[H:83])([H:81])[H:82])([H:79])[H:80])(=[O:23])[O:25][H:78].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:47]1([H:112])[O:48][C@@:49]([C:50]([O:51][H:113])([H:114])[H:115])([H:116])[C@:52]([O:53][H:117])([H:118])[C@@:54]([O:55][H:119])([H:120])[C@@:56]1([O:57][H:121])[H:122]>>[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])([C:4]([C:5]([C:6]([C:7]([C:8]([H:68])([H:69])[H:70])([C:9]([C:10]([C:11]([C:12]([C:13]([H:71])([H:72])[H:73])([C:14]([C:15]([C:16]([C:17]([C:18]([H:74])([H:75])[H:76])([C:19]([C:20]([O:21][P:22](=[O:23])([O:24][C@:47]1([H:112])[O:48][C@@:49]([C:50]([O:51][H:113])([H:114])[H:115])([H:116])[C@:52]([O:53][H:117])([H:118])[C@@:54]([O:55][H:119])([H:120])[C@@:56]1([O:57][H:121])[H:122])[O:25][H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])([H:106])[H:107]

Derived Operators

EVODEX.1-F390 - Elemental Balance

P	-2
O	-11
C	-10
N	-5
H	-15

EVODEX.1-M39 - Mass Difference

-443.02444999999994

EVODEX.1-E1191 - Reaction Operator E

[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22](-[H:49])(-[#8:23])-[#6@@:31])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#15:41]-[#8:42]-[H]>>[#6:22](-[#8:42]-[#15:41])(-[H:49])(-[#8:23])-[#6@@:31]

EVODEX.1-C186 - Reaction Operator C

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22].[H]-[#8:42]>>[#6:22]-[#8:42]

EVODEX.1-N461 - Reaction Operator N

EVODEX.1-Em99 - Reaction Operator Em

[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]

EVODEX.1-Cm6 - Reaction Operator Cm

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm132 - Reaction Operator Nm

[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]

Source Full Reactions

EVODEX.1-R3200

[H][O:24][P:22]([O:21][C:20]([C:19]([C:17]([C:16]([C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:7]([C:6]([C:5]([C:4]([C:2]([C:1]([H:105])([H:106])[H:107])([C:3]([H:65])([H:66])[H:67])[H:104])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([C:8]([H:68])([H:69])[H:70])[H:97])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([C:13]([H:71])([H:72])[H:73])[H:90])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([C:18]([H:74])([H:75])[H:76])[H:83])([H:81])[H:82])([H:79])[H:80])(=[O:23])[O:25][H:78].[N:26]([C:27]1:[N:28]:[C:29]2:[C:30](:[N:31]:[C:32]([H:108]):[N:33]:2[C@:34]2([H:109])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:110])[O:42][P:43](=[O:44])([O:45][H:111])[O:46][C@@:47]3([H:112])[O:48][C@@:49]([C:50]([O:51][H:113])([H:114])[H:115])([H:116])[C@:52]([O:53][H:117])([H:118])[C@@:54]([O:55][H:119])([H:120])[C@@:56]3([O:57][H:121])[H:122])([H:123])[H:124])([H:125])[C@:58]([O:59][H:126])([H:127])[C@:60]2([O:61][H:128])[H:129]):[C:62](=[O:63]):[N:64]:1[H:130])([H:131])[H:132]>>[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])([C:4]([C:5]([C:6]([C:7]([C:8]([H:68])([H:69])[H:70])([C:9]([C:10]([C:11]([C:12]([C:13]([H:71])([H:72])[H:73])([C:14]([C:15]([C:16]([C:17]([C:18]([H:74])([H:75])[H:76])([C:19]([C:20]([O:21][P:22](=[O:23])([O:24][C@:47]1([H:112])[O:48][C@@:49]([C:50]([O:51][H:113])([H:114])[H:115])([H:116])[C@:52]([O:53][H:117])([H:118])[C@@:54]([O:55][H:119])([H:120])[C@@:56]1([O:57][H:121])[H:122])[O:25][H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])([H:106])[H:107].[H][O:46][P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:125])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([N:26]([H:131])[H:132]):[N:64]([H:130]):[C:62](=[O:63]):[C:30]:3:[N:31]:[C:32]:2[H:108])([H:109])[C@@:60]([O:61][H:128])([H:129])[C@@:58]1([O:59][H:126])[H:127])([H:123])[H:124])(=[O:40])[O:41][H:110])(=[O:44])[O:45][H:111]