Pyridine → 3-[[3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxyphenyl]sulfamoyl]benzoic acid

HRID 164040

Reaction equation

HRID 164040 reaction equation
[Cl:27][S:28](=[O:29])(=[O:30])[c:31]1[cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38][cH:39]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:24][CH2:25][CH3:26])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:23])[n:16][c:17]3[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:24][CH2:25][CH3:26])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:23])[n:16][c:17]3[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:7]1)[S:28](=[O:29])(=[O:30])[c:31]1[cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38][cH:39]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 8028TetrahydrofuranHCID 77641Benzoic acid, 3-(chlorosulfonyl)-HCID 1356049412-(5-Amino-2-ethoxyphenyl)-5-methyl-7-cyclopentyl-3H-imidazo[5,1-f][1,2,4]-triazin-4-one

Product 1

HCID 1356049193-[[3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxyphenyl]sulfamoyl]benzoic acid

Sources & evidence

ORD record
ord-d297718219344e1ba4382cbddc86dfa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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