Hydrochloric Acid → Hydrochloric Acid

HRID 1150861Notes

Reaction equation

HRID 1150861 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:27][c:28]1[cH:29][cH:30][n:31][c:32]2[cH:33][cH:34][cH:35][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.[OH2:49]>>[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][cH:35][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 691404-ChloroquinolineHCID 672024533-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-(4-aminophenyl)benzamide

Product 2

HCID 313Hydrochloric Acid2×HCID 248601583-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide

Sources & evidence

ORD record
ord-9f28274b0f0e4c889837ead9ba0f2a13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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