Toluene → 6-bromo-8-cyclopentyl-2-(4-methoxy-benzylamino)-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

반응식

[Br:1][c:2]1[c:3]([CH3:21])[c:4]2[c:5]([n:6][c:7]([S:10]([CH3:11])=[O:12])[n:8][cH:9]2)[n:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[c:14]1=[O:15].[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][NH2:29])[cH:30][cH:31]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[Br:1][c:2]1[c:3]([CH3:21])[c:4]2[c:5]([n:6][c:7]([NH:29][CH2:28][c:27]3[cH:26][cH:25][c:24]([O:23][CH3:22])[cH:31][cH:30]3)[n:8][cH:9]2)[n:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[c:14]1=[O:15]

참가 물질

반응물 3

HCID 1140Toluene

HCID 754524-Methoxybenzylamine

HCID 113721276-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8H)-one

생성물 1

HCID 223297816-bromo-8-cyclopentyl-2-(4-methoxy-benzylamino)-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

출처 및 근거

ORD 기록: ord-5c0b918295624f8ab4ae332ad05cb7bd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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