Hydrochloric Acid → Hydrochloric Acid

HRID 2125115Notes

Reaction equation

HRID 2125115 reaction equation
[CH3:39][OH:40].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH3:47][CH2:48][OH:49].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[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].[ClH:38].[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.[OH2:50]>>[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 Acid2×HCID 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-cad6abadacb64f6a8f77b898aad9293b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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