Hydrochloric Acid → Hydrochloric Acid

HRID 2339842Notes

Reaction equation

HRID 2339842 reaction equation
[CH3:41][S:42]([CH3:43])=[O:44].[CH3:45][OH:46].[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]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][c:19]([NH2:24])[n:20][c:21]([CH3:23])[cH:22]3)[cH:14][cH:15]2)[cH:25][cH:26]1>>[ClH:27].[NH:2]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][c:19]([NH2:24])[n:20][c:21]([CH3:23])[cH:22]3)[cH:14][cH:15]2)[cH:25][cH:26]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

7

Reactant 5

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 2872104-Chloro-6-nitroquinolineHCID 594579664-Amino-N-(4-((2-amino-6-methylpyrimidin-4-yl)amino)phenyl)benzamide

Product 2

HCID 313Hydrochloric AcidHCID 24857962N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[(6-nitroquinolin-4-yl)amino]benzamide

Sources & evidence

ORD record
ord-1e42d2e040e64e719b20307b181136ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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