Hydrochloric Acid → HCID 178523485, compound

HRID 109619Notes

Reaction equation

HRID 109619 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17]([C:20](=[O:21])[NH:22][CH2:23][C:24](=[O:25])[OH:26])[n:18][nH:19]2)[cH:12][cH:13][cH:14]1.[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:50][c:51]1[c:52]([NH:57][CH:58]2[CH2:59][CH2:60][NH:61][CH2:62][CH2:63]2)[cH:53][cH:54][cH:55][cH:56]1.[ClH:47].[ClH:48].[ClH:49].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17]([C:20](=[O:21])[NH:22][CH2:23][C:24](=[O:25])[N:61]3[CH2:60][CH2:59][CH:58]([NH:57][c:52]4[c:51]([Cl:50])[cH:56][cH:55][cH:54][cH:53]4)[CH2:63][CH2:62]3)[n:18][nH:19]2)[cH:12][cH:13][cH:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 4778206N-(2-chlorophenyl)piperidin-4-amineHCID 178525881HCID 178525881, compound

Product 1

HCID 178523485HCID 178523485, compound

Sources & evidence

ORD record
ord-ee6121ddd1c142eebdb318cefc379f6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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