Chloride → 4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-carbothioic acid [4-(pyrimidin-2-ylsulfamoyl)-phenyl]-amide

HRID 145890

Reaction equation

HRID 145890 reaction equation
[CH3:47][OH:48].[Cl-:27].[Cl:49][CH2:50][Cl:51].[N:1]1([c:7]2[n:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][c:16]23)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1.[n:28]1[c:29]([NH:34][S:35](=[O:36])(=[O:37])[c:38]2[cH:39][cH:40][c:41]([NH:44][CH:45]=[S:46])[cH:42][cH:43]2)[n:30][cH:31][cH:32][cH:33]1>>[N:1]1([c:7]2[n:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][c:16]23)[CH2:2][CH2:3][N:4]([C:45]([NH:44][c:41]2[cH:40][cH:39][c:38]([S:35]([NH:34][c:29]3[n:28][cH:33][cH:32][cH:31][n:30]3)(=[O:36])=[O:37])[cH:43][cH:42]2)=[S:46])[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 887MethanolHCID 1049PyridineHCID 6344DichloromethaneHCID 27584846,7-Dimethoxy-4-piperazin-1-yl-quinazolineHCID 86601005N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]methanethioamide

Product 1

HCID 590205174-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-carbothioic acid [4-(pyrimidin-2-ylsulfamoyl)-phenyl]-amide

Sources & evidence

ORD record
ord-971d40fec2bf4346849f6940f560c00c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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