Water → methyl 3-(2-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamido)benzoate

HRID 99995

Reaction equation

HRID 99995 reaction equation
[CH3:19][O:20][C:21]([c:22]1[cH:23][c:24]([NH2:28])[cH:25][cH:26][cH:27]1)=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37].[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[cH:14]3)[nH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12][c:13]([C:15](=[O:17])[NH:28][c:24]4[cH:23][c:22]([C:21]([O:20][CH3:19])=[O:29])[cH:27][cH:26][cH:25]4)[cH:14]3)[nH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 78274Benzoic acid, 3-amino-, methyl esterHCID 224776352-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

Product 1

HCID 67263269methyl 3-(2-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamido)benzoate

Sources & evidence

ORD record
ord-9780c9e584ef4018ad485dcad1186b0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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