Tetrahydrofuran → 2-thiocyanato-benzoic acid N-(3,5,5-trimethylcyclohexyl)-amide

반응식

[CH3:1][CH:2]1[CH2:3][CH:4]([NH:10][C:11]([c:12]2[c:13]([SH:18])[cH:14][cH:15][cH:16][cH:17]2)=[O:19])[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1.[N:20]#[C:21][Cl:22].[O:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1>>[CH3:1][CH:2]1[CH2:3][CH:4]([NH:10][C:11]([c:12]2[c:13]([S:18][C:21]#[N:20])[cH:14][cH:15][cH:16][cH:17]2)=[O:19])[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 10477Cyanogen Chloride

HCID 135039612-mercaptobenzoic acid N-(3,5,5-trimethyl-cyclohexyl)-amide

생성물 1

HCID 135039652-thiocyanato-benzoic acid N-(3,5,5-trimethylcyclohexyl)-amide

출처 및 근거

ORD 기록: ord-c81997d1302641f096df53f136cb469b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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