EVODEX.1-P2489 - Partial Reaction

SMIRKS

[H][O:29][P:27]([O:26][C:25]([C:24]([C:22]([C: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:112])([H:113])[H:114])[C:3]([H:70])([H:71])[H:72])[H:111])([H:109])[H:110])([H:107])[H:108])[C:8]([H:73])([H:74])[H:75])[H:106])([H:104])[H:105])([H:102])[H:103])[C:13]([H:76])([H:77])[H:78])[H:101])([H:99])[H:100])([H:97])[H:98])[C:18]([H:79])([H:80])[H:81])[H:96])([H:94])[H:95])([H:92])[H:93])([C:23]([H:82])([H:83])[H:84])[H:91])([H:89])[H:90])([H:87])[H:88])(=[O:28])[O:30][H:86].[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@@:52]1([H:119])[O:53][C@@:54]([C:55]([O:56][H:120])([H:121])[H:122])([H:123])[C@:57]([O:58][H:124])([H:125])[C@@:59]([O:60][H:126])([H:127])[C@@:61]1([O:62][H:128])[H:129]>>[C:1]([C:2]([C:3]([H:70])([H:71])[H:72])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:73])([H:74])[H:75])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:76])([H:77])[H:78])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:79])([H:80])[H:81])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:82])([H:83])[H:84])([C:24]([C:25]([O:26][P:27](=[O:28])([O:29][C@:52]1([H:119])[O:53][C@@:54]([C:55]([O:56][H:120])([H:121])[H:122])([H:123])[C@:57]([O:58][H:124])([H:125])[C@@:59]([O:60][H:126])([H:127])[C@@:61]1([O:62][H:128])[H:129])[O:30][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:108])([H:109])[H:110])[H:111])([H:112])([H:113])[H:114]

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-R3236

[H][O:29][P:27]([O:26][C:25]([C:24]([C:22]([C: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:112])([H:113])[H:114])[C:3]([H:70])([H:71])[H:72])[H:111])([H:109])[H:110])([H:107])[H:108])[C:8]([H:73])([H:74])[H:75])[H:106])([H:104])[H:105])([H:102])[H:103])[C:13]([H:76])([H:77])[H:78])[H:101])([H:99])[H:100])([H:97])[H:98])[C:18]([H:79])([H:80])[H:81])[H:96])([H:94])[H:95])([H:92])[H:93])([C:23]([H:82])([H:83])[H:84])[H:91])([H:89])[H:90])([H:87])[H:88])(=[O:28])[O:30][H:86].[N:31]([C:32]1:[N:33]:[C:34]2:[C:35](:[N:36]:[C:37]([H:115]):[N:38]:2[C@:39]2([H:116])[O:40][C@@:41]([C:42]([O:43][P:44](=[O:45])([O:46][H:117])[O:47][P:48](=[O:49])([O:50][H:118])[O:51][C@@:52]3([H:119])[O:53][C@@:54]([C:55]([O:56][H:120])([H:121])[H:122])([H:123])[C@:57]([O:58][H:124])([H:125])[C@@:59]([O:60][H:126])([H:127])[C@@:61]3([O:62][H:128])[H:129])([H:130])[H:131])([H:132])[C@:63]([O:64][H:133])([H:134])[C@:65]2([O:66][H:135])[H:136]):[C:67](=[O:68]):[N:69]:1[H:137])([H:138])[H:139]>>[C:1]([C:2]([C:3]([H:70])([H:71])[H:72])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:73])([H:74])[H:75])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:76])([H:77])[H:78])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:79])([H:80])[H:81])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:82])([H:83])[H:84])([C:24]([C:25]([O:26][P:27](=[O:28])([O:29][C@:52]1([H:119])[O:53][C@@:54]([C:55]([O:56][H:120])([H:121])[H:122])([H:123])[C@:57]([O:58][H:124])([H:125])[C@@:59]([O:60][H:126])([H:127])[C@@:61]1([O:62][H:128])[H:129])[O:30][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:108])([H:109])[H:110])[H:111])([H:112])([H:113])[H:114].[H][O:51][P:48]([O:47][P:44]([O:43][C:42]([C@@:41]1([H:132])[O:40][C@:39]([N:38]2:[C:34]3:[N:33]:[C:32]([N:31]([H:138])[H:139]):[N:69]([H:137]):[C:67](=[O:68]):[C:35]:3:[N:36]:[C:37]:2[H:115])([H:116])[C@@:65]([O:66][H:135])([H:136])[C@@:63]1([O:64][H:133])[H:134])([H:130])[H:131])(=[O:45])[O:46][H:117])(=[O:49])[O:50][H:118]