Ethanol → 6-Amino-4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-quinoline-3-carbonitrile

HRID 285163

Reaction equation

HRID 285163 reaction equation
[CH3:38][CH2:39][OH:40].[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:29]#[N:30])[cH:18][n:19][c:20]3[cH:21][cH:22][c:23]([N+:26]([O-:27])=[O:28])[cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1.[OH2:31].[OH2:32].[Sn:33]([Cl:34])([Cl:35])([Cl:36])[Cl:37]>>[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:29]#[N:30])[cH:18][n:19][c:20]3[cH:21][cH:22][c:23]([NH2:26])[cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962Water2×HCID 24287Tin tetrachlorideHCID 699572994-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-6-nitro-quinoline-3-carbonitrile

Product 1

HCID 101360586-Amino-4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-1c9c9f1b660749d8a57d10d0b68c10fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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