4-Amino-5-(chloromethyl)-2-methylpyrimidine → 1'-({1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-6-chloro-1H-indol-3-yl}carbonyl)-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

HRID 682275

반응식

HRID 682275 반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][C:16]4([O:17][C:18](=[O:26])[c:19]5[c:20]4[cH:21][cH:22][c:23]([F:25])[cH:24]5)[CH2:27][CH2:28]3)[cH:7][nH:8][c:9]2[cH:10]1.[Cl:29][CH2:30][c:31]1[c:32]([NH2:38])[n:33][c:34]([CH3:37])[n:35][cH:36]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][C:16]4([O:17][C:18](=[O:26])[c:19]5[c:20]4[cH:21][cH:22][c:23]([F:25])[cH:24]5)[CH2:27][CH2:28]3)[cH:7][n:8]([CH2:30][c:31]3[c:32]([NH2:38])[n:33][c:34]([CH3:37])[n:35][cH:36]3)[c:9]2[cH:10]1

참가 물질

3

반응물 2

HCID 4212454-Amino-5-(chloromethyl)-2-methylpyrimidineHCID 596576231'-[(6-chloro-1H-indol-3-yl)carbonyl]-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

생성물 1

HCID 596576731'-({1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-6-chloro-1H-indol-3-yl}carbonyl)-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

출처 및 근거

ORD 기록
ord-626d749fdc424598a5d23392fc4a6a6c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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