Hydrochloric Acid → HCID 178523528, compound

HRID 681368Notes

Reaction equation

HRID 681368 reaction equation
[CH3:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH2:61][CH2:62][N:63]([CH3:64])[CH3:65].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:68][c:69]1[cH:70][n:71][cH:72][c:73]([O:75][CH:76]2[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]2)[cH:74]1.[ClH:66].[ClH:67].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:23])[NH:24][CH2:25][C:26](=[O:27])[OH:28])[n:20][nH:21]2)[cH:15][cH:16]1.[F:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][C:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])[cH:43][cH:44]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH2:87].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:23])[NH:24][CH2:25][C:26](=[O:28])[N:79]3[CH2:78][CH2:77][CH:76]([O:75][c:73]4[cH:72][n:71][cH:70][c:69]([Cl:68])[cH:74]4)[CH2:81][CH2:80]3)[n:20][nH:21]2)[cH:15][cH:16]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2363292-(4-fluorophenyl)-1-phenylethanoneHCID 64600597HCID 64600597, compoundHCID 178525882HCID 178525882, compound

Product 1

HCID 178523528HCID 178523528, compound

Sources & evidence

ORD record
ord-68d3dc2373384b349a31f1009fc87f4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…