Hydrochloric Acid → HCID 44230950, compound

HRID 176162Notes

Reaction equation

HRID 176162 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].[Cl:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]1.[ClH:45].[ClH:46].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[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:47]1(-[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:48][cH:49][c:50]([NH:53][C:54]([CH2:55][C:56]([N:57]2[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]2)=[O:63])=[O:64])[cH:51][cH:52]1>>[Cl:20][c:21]1[c:22]([C:23](=[O:25])[N:60]2[CH2:59][CH2:58][N:57]([C:56]([CH2:55][C:54]([NH:53][c:50]3[cH:49][cH:48][c:47](-[c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[cH:52][cH:51]3)=[O:64])=[O:63])[CH2:62][CH2:61]2)[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 6881822-Chloro-5-(trifluoromethyl)benzoic acidHCID 578758123-oxo-N-(4-phenylphenyl)-3-piperazin-1-ylpropanamide

Product 1

HCID 44230950HCID 44230950, compound

Sources & evidence

ORD record
ord-28696f3bbc374f65a9e1f78918d820d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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