Methyl Acrylate → Methyl 3-[3-[5-[4-[bis(4-fluorophenyl)methylene]piperidin-1-yl]pentyl]-2,4-dioxothieno[3,4-d]pyrimidin-1-yl]propanoate

반응식

[C:38]([CH:39]=[CH2:40])(=[O:41])[O:42][CH3:43].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][n:20]3[c:21](=[O:30])[nH:22][c:23]4[c:24]([c:25]3=[O:26])[cH:27][s:28][cH:29]4)[CH2:13][CH2:14]2)[c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][n:20]3[c:21](=[O:30])[n:22]([CH2:40][CH2:39][C:38](=[O:41])[O:42][CH3:43])[c:23]4[c:24]([c:25]3=[O:26])[cH:27][s:28][cH:29]4)[CH2:13][CH2:14]2)[c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 7294Methyl Acrylate

HCID 145004073-[5-[4-(Bis(4-fluorophenyl)methylene]piperidin-1-yl]pentyl]thieno[3,4-d]pyrimidine-2,4-dione

생성물 1

HCID 15070687Methyl 3-[3-[5-[4-[bis(4-fluorophenyl)methylene]piperidin-1-yl]pentyl]-2,4-dioxothieno[3,4-d]pyrimidin-1-yl]propanoate

출처 및 근거

ORD 기록: ord-d01999b655fa4765b76500b946ec086f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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