N-methyl-2-pyrrolidone → 3-(2-chlorophenyl)-7-(tetrahydropyran-4-ylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

반응식

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

참가 물질

반응물 3

HCID 13387N-methyl-2-pyrrolidone

HCID 4192234-Aminotetrahydropyran

HCID 180024743-(2-chlorophenyl)-7-benzylsulfonyl-3,4-dihydropyrimido[4,5-d]-pyrimidin-2(1H)-one

생성물 1

HCID 99507403-(2-chlorophenyl)-7-(tetrahydropyran-4-ylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

출처 및 근거

ORD 기록: ord-b00d382b990d4c40b0921349bd2fd26d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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