Ammonium → 1H-Indazole-1-carboxylic acid, 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]amino]-, 1,1-dimethylethyl ester

HRID 143716Notes

Reaction equation

HRID 143716 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7](-[c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]([NH:21][c:22]3[cH:23][c:24]4[cH:25][n:26][n:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:28]4[cH:29][cH:30]3)[n:20]2)[cH:8][cH:9][cH:10]1.[CH3:40][OH:41].[NH4+:39].[OH-:38]>>[OH:4][c:5]1[cH:6][c:7](-[c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]([NH:21][c:22]3[cH:23][c:24]4[cH:25][n:26][n:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:28]4[cH:29][cH:30]3)[n:20]2)[cH:8][cH:9][cH:10]1

Participants

5

Reactant 4

HCID 223AmmoniumHCID 887MethanolHCID 961HydroxideHCID 66826370tert-butyl 5-(2-(3-acetoxyphenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

Product 1

HCID 569494541H-Indazole-1-carboxylic acid, 5-[[2-(3-hydroxyphenyl)-4-quinazolinyl]amino]-, 1,1-dimethylethyl ester

Sources & evidence

ORD record
ord-90d833cdd6e14442878a8b0f34cc3568
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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