Hydrochloric Acid → HCID 44515727, compound

HRID 1552042Notes

Reaction equation

HRID 1552042 reaction equation
[CH3:87][CH2:88][CH2:89][CH:90]([CH3:91])[CH3:92].[CH3:93][CH2:94][O:95][C:96]([CH3:97])=[O:98].[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[ClH:40].[F:1][C:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([O:8][c:9]1[cH:10][c:11]2[cH:12][n:13][n:14](-[c:18]3[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26]3)[c:15]2[cH:16][cH:17]1)[c:27]1[cH:28][c:29]2[c:30]([cH:35][cH:36]1)[O:31][CH2:32][CH2:33][O:34]2)[CH3:37])([CH3:38])[F:39].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH2:99].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[S:41]1(=[O:47])(=[O:48])[CH2:42][CH:43]([NH2:46])[CH2:44][CH2:45]1.[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[F:1][C:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([O:8][c:9]1[cH:10][c:11]2[cH:12][n:13][n:14](-[c:18]3[cH:19][c:20]([C:21](=[O:23])[NH:46][CH:43]4[CH2:42][S:41](=[O:47])(=[O:48])[CH2:45][CH2:44]4)[cH:24][cH:25][cH:26]3)[c:15]2[cH:16][cH:17]1)[c:27]1[cH:28][c:29]2[c:30]([cH:35][cH:36]1)[O:31][CH2:32][CH2:33][O:34]2)[CH3:37])([CH3:38])[F:39]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 78922-MethylpentaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 228073-Thiophenamine, tetrahydro-, 1,1-dioxideHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 178465114HCID 178465114, compound

Product 1

HCID 44515727HCID 44515727, compound

Sources & evidence

ORD record
ord-498bbe97a83f45c882870ae5bca6b66d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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