Hydrochloric Acid → Hydrochloric Acid

HRID 2148233Notes

Reaction equation

HRID 2148233 reaction equation
[CH3:41][OH:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:49][CH2:50][OH:51].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:27][c:28]1[cH:29][cH:30][n:31][c:32]2[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][c:37]12.[ClH:1].[NH2:2][c:3]1[n:4][c:5]([CH3:26])[cH:6][c:7]([NH:9][c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[cH:23][cH:24][cH:25]2)[n:8]1.[OH2:52]>>[ClH:1].[ClH:27].[NH2:2][c:3]1[n:4][c:5]([CH3:26])[cH:6][c:7]([NH:9][c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([NH:22][c:28]4[cH:29][cH:30][n:31][c:32]5[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][c:37]45)[cH:20][cH:21]3)[cH:23][cH:24][cH:25]2)[n:8]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 962WaterHCID 8857Ethyl Acetate2×HCID 2872104-Chloro-6-nitroquinolineHCID 672024533-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-(4-aminophenyl)benzamide

Product 2

HCID 313Hydrochloric Acid2×HCID 671998083-[(2-amino-6-methyl-4-pyrimidinyl)amino]-N-{4-[(6-nitro-4-quinolinyl)amino]phenyl}benzamide

Sources & evidence

ORD record
ord-a6e0d901810c49d49fd30a512d95c150
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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