Acetonitrile → 1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-[4-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]urea

반응식

[CH3:42][C:43]#[N:44].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([CH2:13][CH:14]3[CH:15]([NH2:20])[CH2:16][O:17][CH2:18][CH2:19]3)[CH2:10][CH2:11][CH2:12]2)[cH:21][cH:22]1.[c:23]1([O:29][C:30](=[O:24])[NH:31][c:32]2[s:33][c:34]([C:38]([CH3:39])=[O:40])[c:35]([CH3:37])[n:36]2)[cH:25][cH:26][cH:27][cH:28][cH:41]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([CH2:13][CH:14]3[CH:15]([NH:20][C:30](=[O:29])[NH:31][c:32]4[s:33][c:34]([C:38]([CH3:39])=[O:40])[c:35]([CH3:37])[n:36]4)[CH2:16][O:17][CH2:18][CH2:19]3)[CH2:10][CH2:11][CH2:12]2)[cH:21][cH:22]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 22259036Phenyl (5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate

HCID 178508081HCID 178508081, 화합물

생성물 1

HCID 223182371-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-[4-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]urea

출처 및 근거

ORD 기록: ord-cb51dcd1ef124c77a5e0020cfbb32993
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…