1-(4-Aminophenyl)methanesulfonamide → (4-Methoxy-phenyl)-(1-methyl-5-{methyl-[2-(4-sulfamoylmethyl-phenylamino)-pyrimidin-4-yl]-amino}-1H-benzoimidazol-2-yl)-carbamic acid tert-butyl ester

HRID 2159732Notes

Reaction equation

HRID 2159732 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[c:16]1[n:17][c:18]2[c:19]([n:20]1[CH3:21])[cH:22][cH:23][c:24]([N:26]([CH3:27])[c:28]1[n:29][c:30]([Cl:34])[n:31][cH:32][cH:33]1)[cH:25]2)=[O:35].[NH2:36][c:37]1[cH:38][cH:39][c:40]([CH2:43][S:44](=[O:45])(=[O:46])[NH2:47])[cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[c:16]1[n:17][c:18]2[c:19]([n:20]1[CH3:21])[cH:22][cH:23][c:24]([N:26]([CH3:27])[c:28]1[n:29][c:30]([NH:36][c:37]3[cH:38][cH:39][c:40]([CH2:43][S:44](=[O:45])(=[O:46])[NH2:47])[cH:41][cH:42]3)[n:31][cH:32][cH:33]1)[cH:25]2)=[O:35]

Participants

3

Reactant 2

HCID 108214071-(4-Aminophenyl)methanesulfonamideHCID 59674233{5-[(2-Chloro-pyrimidin-4-yl)-methyl-amino]-1-methyl-1H-benzoimidazol-2-yl}-(4-methoxy-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 10290407(4-Methoxy-phenyl)-(1-methyl-5-{methyl-[2-(4-sulfamoylmethyl-phenylamino)-pyrimidin-4-yl]-amino}-1H-benzoimidazol-2-yl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-76de0238eebd4dcbadc0bcf9c83913a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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