Ethanol → Hydrochloric Acid

HRID 122215Notes

Reaction equation

HRID 122215 reaction equation
[CH3:34][CH2:35][OH:36].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][n:9][c:10]([N:12]([CH3:13])[CH3:14])[cH:11]2.[Cl:31][CH2:32][Cl:33].[NH2:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([C:23]#[N:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:20][cH:21]1>>[ClH:1].[c:2]1([NH:15][c:16]2[cH:17][cH:18][c:19]([CH:22]([C:23]#[N:24])[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:20][cH:21]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][n:9][c:10]([N:12]([CH3:13])[CH3:14])[cH:11]2

Participants

6

Reactant 4

HCID 702EthanolHCID 6344DichloromethaneHCID 1167712-(4-Aminophenyl)-2-phenylacetonitrileHCID 227274534-Chloro-6-(N,N-dimethylamino)-pyrido[3,4-d]pyrimidine

Product 2

HCID 313Hydrochloric AcidHCID 221128362-[4-[[6-(Dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]phenyl]-2-phenylacetonitrile

Sources & evidence

ORD record
ord-743aa79f58b843689d221209c10f4e75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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