Hydrochloric Acid → HCID 178523514, compound

HRID 698836Notes

Reaction equation

HRID 698836 reaction equation
[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:46].[ClH:47].[NH2:48][CH2:49][C:50](=[O:51])[N:52]1[CH2:53][CH2:54][CH:55]([O:58][c:59]2[cH:60][c:61]([C:65]([F:66])([F:67])[F:68])[cH:62][cH:63][cH:64]2)[CH2:56][CH2:57]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:23])[OH:24])[n:20][nH:21]2)[cH:15][cH:16]1.[OH:25][n:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33][n:34]1>>[OH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:24])[NH:48][CH2:49][C:50](=[O:51])[N:52]3[CH2:53][CH2:54][CH:55]([O:58][c:59]4[cH:60][c:61]([C:65]([F:66])([F:67])[F:68])[cH:62][cH:63][cH:64]4)[CH2:56][CH2:57]3)[n:20][nH:21]2)[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 665915482-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanoneHCID 178524130HCID 178524130, compound

Product 1

HCID 178523514HCID 178523514, compound

Sources & evidence

ORD record
ord-17247a19f54b4e03bdf0fa8ae7ff3074
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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