Hydrochloric Acid → HCID 57855672, compound

HRID 1221279Notes

Reaction equation

HRID 1221279 reaction equation
[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[cH:12][c:13]([F:21])[c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]1[F:20].[ClH:43].[O:44]=[C:45]([CH2:46][NH:47][C:48](=[O:49])[c:50]1[cH:51][cH:52][c:53](-[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:54][cH:55]1)[N:62]1[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1>>[Cl:10][c:11]1[cH:12][c:13]([F:21])[c:14]([C:15](=[O:17])[N:65]2[CH2:64][CH2:63][N:62]([C:45](=[O:44])[CH2:46][NH:47][C:48](=[O:49])[c:50]3[cH:51][cH:52][c:53](-[c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[cH:54][cH:55]3)[CH2:67][CH2:66]2)[cH:18][c:19]1[F:20]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27332744-Chloro-2,5-difluorobenzoic acidHCID 57855677Biphenyl-4-carboxylicacid (2-oxo-2-piperazin-1-yl-ethyl)-amide

Product 1

HCID 57855672HCID 57855672, compound

Sources & evidence

ORD record
ord-35344aca939d462aa39f7889d256e263
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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