Water → 2-({6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl}thio)-4,6-dimethylnicotinonitrile

HRID 285912

반응식

HRID 285912 반응식
[CH3:26][c:27]1[cH:28][c:29]([CH3:36])[n:30][c:31]([SH:35])[c:32]1[C:33]#[N:34].[Cl:1][CH:2]1[C:3](=[O:25])[O:4][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[CH2:6][C:7]1=[O:8].[OH2:37]>>[C:2]1([S:35][c:31]2[n:30][c:29]([CH3:36])[cH:28][c:27]([CH3:26])[c:32]2[C:33]#[N:34])=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[O:4][C:3]1=[O:25]

참가 물질

4

반응물 3

HCID 962WaterHCID 688674513-Chloro-6-[2-(3-chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-dihydro-pyran-2,4-dioneHCID 178425247HCID 178425247, 화합물

생성물 1

HCID 587623392-({6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl}thio)-4,6-dimethylnicotinonitrile

출처 및 근거

ORD 기록
ord-43616f0669be412084af0e270437c0e4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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