Tetrahydrofuran → 2,2-Dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-methoxy-phenyl)-pyrazolo[3,4-b]pyridin-1-ylmethyl ester

HRID 136283Notes

Reaction equation

HRID 136283 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:12]3[n:13][cH:14][c:15]([CH:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[NH2:35][c:36]1[c:37]([C:38](=[O:39])[N:40]([CH3:41])[CH3:42])[cH:43][c:44]([Br:47])[cH:45][cH:46]1>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:12]3[n:13][cH:14][c:15](-[c:44]4[cH:43][c:37]([C:38](=[O:39])[N:40]([CH3:41])[CH3:42])[c:36]([NH2:35])[cH:46][cH:45]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

4

Reactant 3

HCID 8028TetrahydrofuranHCID 509995122-Amino-5-bromo-N,N-dimethylbenzamideHCID 579757482,2-Dimethyl-propionic acid 3-(2-methoxy-phenyl)-5-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-yl)-pyrazolo[3,4-b]pyridin-1-ylmethyl ester

Product 1

HCID 579758402,2-Dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-methoxy-phenyl)-pyrazolo[3,4-b]pyridin-1-ylmethyl ester

Sources & evidence

ORD record
ord-e281908105cc4518804b3871a4fb1502
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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