Hydrochloric Acid → Hydrochloric Acid

HRID 160015Notes

Reaction equation

HRID 160015 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[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.[OH2:52]>>[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][c:35]([N+:38](=[O:39])[O-:40])[cH:36][c:37]12

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 962WaterHCID 8857Ethyl Acetate2×HCID 2872104-Chloro-6-nitroquinolineHCID 67200188N-(4-aminophenyl)-3-[(2,6-diaminopyrimidin-4-yl)amino]benzamide

Product 2

HCID 313Hydrochloric Acid2×HCID 594579943-[(2,6-diaminopyrimidin-4-yl)amino]-N-[4-[(6-nitroquinolin-4-yl)amino]phenyl]benzamide

Sources & evidence

ORD record
ord-1c8ddd27348a4f75ad62133b82de069a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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