1,4-Butanedithiol → 5-[2-[(4-mercaptobutyl)thio]-2-(3-thienyl)ethyl]-2-methyl-2-phenylfuran-3(2H)-one

HRID 200704

반응식

HRID 200704 반응식
[CH2:21]([CH2:22][CH2:23][CH2:24][SH:25])[SH:26].[CH3:1][C:2]1([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:3][C:4]([CH:8]=[CH:9][c:10]2[cH:11][s:12][cH:13][cH:14]2)=[CH:5][C:6]1=[O:7]>>[CH3:1][C:2]1([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:3][C:4]([CH2:8][CH:9]([c:10]2[cH:11][s:12][cH:13][cH:14]2)[S:26][CH2:21][CH2:22][CH2:23][CH2:24][SH:25])=[CH:5][C:6]1=[O:7]

참가 물질

3

반응물 2

HCID 791481,4-ButanedithiolHCID 543182742-Methyl-2-phenyl-5-[2-(3-thienyl)ethenyl]-3(2H)-furanone

생성물 1

HCID 102946645-[2-[(4-mercaptobutyl)thio]-2-(3-thienyl)ethyl]-2-methyl-2-phenylfuran-3(2H)-one

출처 및 근거

ORD 기록
ord-3c2bc4460b88463e8c0d3f997ebd61a8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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