Hydrochloric Acid → HCID 178489297, compound

HRID 1205245Notes

Reaction equation

HRID 1205245 reaction equation
[CH3:10][O:11][c:12]1[c:13](-[c:18]2[cH:19][c:20]([C:23](=[O:24])[OH:25])[n:21][nH:22]2)[cH:14][cH:15][cH:16][cH:17]1.[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:47].[NH2:48][CH2:49][C:50](=[O:51])[N:52]1[CH2:53][CH2:54][N:55]([C:58]([c:59]2[c:60]([C:66]([F:67])([F:68])[F:69])[cH:61][cH:62][c:63]([F:65])[cH:64]2)=[O:70])[CH2:56][CH2:57]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[CH3:10][O:11][c:12]1[c:13](-[c:18]2[cH:19][c:20]([C:23](=[O:25])[NH:48][CH2:49][C:50](=[O:51])[N:52]3[CH2:53][CH2:54][N:55]([C:58]([c:59]4[c:60]([C:66]([F:67])([F:68])[F:69])[cH:61][cH:62][c:63]([F:65])[cH:64]4)=[O:70])[CH2:56][CH2:57]3)[n:21][nH:22]2)[cH:14][cH:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 595595982-Amino-1-[4-(2-trifluoromethyl-5-fluoro-benzoyl)-piperazin-1-yl]-ethanoneHCID 178489299HCID 178489299, compound

Product 1

HCID 178489297HCID 178489297, compound

Sources & evidence

ORD record
ord-45c82bd29f624071b344b5f9abb512e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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