Ethanol → Hydrochloric Acid

HRID 1124633Notes

Reaction equation

HRID 1124633 reaction equation
[CH2:52]([OH:53])[CH2:54][CH:55]([CH3:56])[CH3:57].[CH3:19][NH:20][S:21](=[O:22])(=[O:23])[CH2:24][c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1.[CH3:58][CH2:59][OH:60].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1.[Cl:32][c:33]1[n:34][c:35]([NH:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[c:44]([cH:45][cH:46][c:47]([O:48][CH3:49])[cH:50]2)[n:51]1>>[ClH:1].[c:2]1([NH:31][c:28]2[cH:27][cH:26][c:25]([CH2:24][S:21]([NH:20][CH3:19])(=[O:22])=[O:23])[cH:30][cH:29]2)[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1

Participants

7

Reactant 5

HCID 702EthanolHCID 31260Isoamyl AlcoholHCID 3179082-chloro-N-phenylquinazolin-4-amineHCID 27781314-Amino-N-methylbenzenemethanesulfonamideHCID 226398172-Chloro-6-methoxy-4-phenylamino-quinazoline

Product 2

HCID 313Hydrochloric AcidHCID 98252791-[4-[(4-anilinoquinazolin-2-yl)amino]phenyl]-N-methylmethanesulfonamide

Sources & evidence

ORD record
ord-55882863e3bc45de82a0887726cae9e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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