Water → 6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-3-[(6-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-5,6-dihydro-2H-pyran-2-one

HRID 666515

반응식

HRID 666515 반응식
[CH3:26][c:27]1[cH:28][n:29][c:30]2[n:31]([cH:32]1)[n:33][c:34]([SH:36])[n:35]2.[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:36][c:34]2[n:33][n:31]3[c:30]([n:29][cH:28][c:27]([CH3:26])[cH:32]3)[n:35]2)=[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 178430151HCID 178430151, 화합물

생성물 1

HCID 587624286-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-3-[(6-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-5,6-dihydro-2H-pyran-2-one

출처 및 근거

ORD 기록
ord-afb929bb030b457d836025953de607b9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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