Hydrochloric Acid → HCID 178485414, compound

HRID 149681Notes

Reaction equation

HRID 149681 reaction equation
[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH:11]2[CH:12]([c:17]3[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]3)[CH2:13][NH:14][CH2:15][CH2:16]2)[cH:25][cH:26]1.[ClH:1].[F:27][C:28]([c:29]1[n:30][n:31][c:32]2[n:33]1[CH2:34][CH2:35][N:36]([C:38](=[O:39])[O:40][c:41]1[cH:42][cH:43][c:44]([N+:45]([O-:46])=[O:47])[cH:48][cH:49]1)[CH2:37]2)([F:50])[F:51].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH:11]2[CH:12]([c:17]3[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]3)[CH2:13][N:14]([C:38]([N:36]3[CH2:35][CH2:34][n:33]4[c:29]([C:28]([F:27])([F:50])[F:51])[n:30][n:31][c:32]4[CH2:37]3)=[O:39])[CH2:15][CH2:16]2)[cH:25][cH:26]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 689320694-Nitrophenyl 5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylateHCID 775742364-chloro-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide

Product 1

HCID 178485414HCID 178485414, compound

Sources & evidence

ORD record
ord-3267da5e9c9644209e5d3289a4b95f61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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