EVODEX.1-P2492 - Partial Reaction

SMIRKS

[H][O:23][P:21]([O:20][C:19]([C:18]([C@:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:102])([H:103])[H:104])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([C:17]([H:64])([H:65])[H:66])[H:73])([H:71])[H:72])([H:69])[H:70])(=[O:22])[O:24][H:68].[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@@:46]1([H:109])[O:47][C@@:48]([C:49]([O:50][H:110])([H:111])[H:112])([H:113])[C@:51]([O:52][H:114])([H:115])[C@@:53]([O:54][H:116])([H:117])[C@@:55]1([O:56][H:118])[H:119]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C@:16]([C:17]([H:64])([H:65])[H:66])([C:18]([C:19]([O:20][P:21](=[O:22])([O:23][C:46]1([H:109])[O:47][C@@:48]([C:49]([O:50][H:110])([H:111])[H:112])([H:113])[C@:51]([O:52][H:114])([H:115])[C@@:53]([O:54][H:116])([H:117])[C@@:55]1([O:56][H:118])[H:119])[O:24][H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([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]

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-R3244

[H][O:23][P:21]([O:20][C:19]([C:18]([C@:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:102])([H:103])[H:104])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([C:17]([H:64])([H:65])[H:66])[H:73])([H:71])[H:72])([H:69])[H:70])(=[O:22])[O:24][H:68].[N:25]([C:26]1:[N:27]:[C:28]2:[C:29](:[N:30]:[C:31]([H:105]):[N:32]:2[C@:33]2([H:106])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:107])[O:41][P:42](=[O:43])([O:44][H:108])[O:45][C@@:46]3([H:109])[O:47][C@@:48]([C:49]([O:50][H:110])([H:111])[H:112])([H:113])[C@:51]([O:52][H:114])([H:115])[C@@:53]([O:54][H:116])([H:117])[C@@:55]3([O:56][H:118])[H:119])([H:120])[H:121])([H:122])[C@:57]([O:58][H:123])([H:124])[C@:59]2([O:60][H:125])[H:126]):[C:61](=[O:62]):[N:63]:1[H:127])([H:128])[H:129]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C@:16]([C:17]([H:64])([H:65])[H:66])([C:18]([C:19]([O:20][P:21](=[O:22])([O:23][C:46]1([H:109])[O:47][C@@:48]([C:49]([O:50][H:110])([H:111])[H:112])([H:113])[C@:51]([O:52][H:114])([H:115])[C@@:53]([O:54][H:116])([H:117])[C@@:55]1([O:56][H:118])[H:119])[O:24][H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([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][O:45][P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:122])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([N:25]([H:128])[H:129]):[N:63]([H:127]):[C:61](=[O:62]):[C:29]:3:[N:30]:[C:31]:2[H:105])([H:106])[C@@:59]([O:60][H:125])([H:126])[C@@:57]1([O:58][H:123])[H:124])([H:120])[H:121])(=[O:39])[O:40][H:107])(=[O:43])[O:44][H:108]