Water → 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 41

반응식

[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([S:17]([CH3:18])(=[O:19])=[O:20])[n:15][cH:16]3)[n:21]([CH3:24])[c:22]2=[O:23])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[NH2:25][c:26]1[cH:27][cH:28][c:29]([O:32][CH3:33])[n:30][cH:31]1.[OH2:34]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:25][c:26]4[cH:27][cH:28][c:29]([O:32][CH3:33])[n:30][cH:31]4)[n:15][cH:16]3)[n:21]([CH3:24])[c:22]2=[O:23])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

참가 물질

반응물 3

HCID 962Water

HCID 811216-Methoxy-3-pyridinylamine

HCID 105961576-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

생성물 1

HCID 53278882-aminopyrido[2,3-d]pyrimidin-7(8H)-one 41

출처 및 근거

ORD 기록: ord-4705b05a05554532a538378929c72fb8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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