Hydrochloric Acid → HCID 56296296, compound

HRID 2145565Notes

Reaction equation

HRID 2145565 reaction equation
[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:45].[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][N:53]([C:56]([c:57]2[c:58]([C:63]([F:64])([F:65])[F:66])[cH:59][cH:60][cH:61][cH:62]2)=[O:67])[CH2:54][CH2:55]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:20]1(-[c:26]2[cH:27][c:28]([C:31](=[O:32])[OH:33])[n:29][o:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[c:20]1(-[c:26]2[cH:27][c:28]([C:31](=[O:33])[NH:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][N:53]([C:56]([c:57]4[c:58]([C:63]([F:64])([F:65])[F:66])[cH:59][cH:60][cH:61][cH:62]4)=[O:67])[CH2:54][CH2:55]3)[n:29][o:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 1519165-Phenyl-3-isoxazolecarboxylic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 56296296HCID 56296296, compound

Sources & evidence

ORD record
ord-eb8873c905474f42acdaca1614d3d047
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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