Hydrochloric Acid → Hydrochloric Acid

HRID 1224686Notes

Reaction equation

HRID 1224686 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].[CH3:57][OH:58].[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[cH:4][cH:5][c:6]([NH:9][C:10]([c:11]2[cH:12][c:13]([NH:17][c:18]3[n:19][c:20]([NH2:25])[n:21][c:22]([NH2:24])[cH:23]3)[cH:14][cH:15][cH:16]2)=[O:26])[cH:7][cH:8]1.[OH2:50]>>[ClH:1].[ClH:27].[NH:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([c:11]2[cH:12][c:13]([NH:17][c:18]3[n:19][c:20]([NH2:25])[n:21][c:22]([NH2:24])[cH:23]3)[cH:14][cH:15][cH:16]2)=[O:26])[cH:7][cH:8]1)[c:28]1[cH:29][cH:30][n:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12

Participants

9

Reactant 7

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 887Methanol2×HCID 962WaterHCID 8857Ethyl Acetate2×HCID 691404-ChloroquinolineHCID 67200188N-(4-aminophenyl)-3-[(2,6-diaminopyrimidin-4-yl)amino]benzamide

Product 2

HCID 313Hydrochloric Acid2×HCID 671999903-[(2,6-diaminopyrimidin-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide

Sources & evidence

ORD record
ord-91214618b83740b283c48b623a5f8a31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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