Hydrochloric Acid → Hydrochloric Acid

HRID 665006Notes

Reaction equation

HRID 665006 reaction equation
[CH3:38][OH:39].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:46][CH2:47][OH:48].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:26][c:27]1[cH:28][cH:29][n:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12.[ClH:37].[NH2:1][c:2]1[n:3][c:4]([CH3:25])[cH:5][c:6]([NH:8][c:9]2[cH:10][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]2)[n:7]1.[OH2:49]>>[ClH:26].[ClH:37].[NH2:1][c:2]1[n:3][c:4]([CH3:25])[cH:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([NH:22][c:27]4[cH:28][cH:29][n:30][c:31]5[cH:32][cH:33][cH:34][cH:35][c:36]45)[cH:20][cH:21]3)[cH:23][cH:24]2)[n:7]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 962WaterHCID 8857Ethyl Acetate2×HCID 691404-ChloroquinolineHCID 672005514-[(2-Amino-6-methyl-4-pyrimidinyl)amino]-N-(4-aminophenyl)benzamide

Product 2

HCID 313Hydrochloric Acid2×HCID 671984814-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide

Sources & evidence

ORD record
ord-ffa1fe4b8c1e42b79306a43d27fa6832
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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