Hydrochloric Acid → Hydrochloric Acid

HRID 1149874Notes

Reaction equation

HRID 1149874 reaction equation
[CH3:27][CH2:28][OH:29].[Cl:30][c:31]1[cH:32][cH:33][n:34][c:35]2[cH:36][cH:37][c:38]([N:41]([CH3:42])[CH3:43])[cH:39][c:40]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.[OH2:44]>>[ClH:30].[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:31]1[cH:32][cH:33][n:34][c:35]2[cH:36][cH:37][c:38]([N:41]([CH3:42])[CH3:43])[cH:39][c:40]12

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 962WaterHCID 436172264-chloro-N,N-dimethylquinolin-6-amineHCID 594579664-Amino-N-(4-((2-amino-6-methylpyrimidin-4-yl)amino)phenyl)benzamide

Product 2

HCID 313Hydrochloric AcidHCID 59458014N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[6-(dimethylamino)quinolin-4-yl]amino]benzamide

Sources & evidence

ORD record
ord-3b96ea2af7474666823365b40c5eac29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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