1,4-Dimercapto-2,3-butanediol → 1,1-Dicyclohexyl-3-[5-(3-dimethylamino-propylsulfanyl)-thiazol-2-yl]-urea

HRID 86717

반응식

HRID 86717 반응식
[CH3:33][N:34]([CH2:35][CH2:36][CH2:37][Cl:38])[CH3:39].[CH:1]1([N:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([S:16][C:17]#[N:18])[cH:14][n:15]2)[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[SH:25][CH2:26][CH:27]([CH:28]([CH2:29][SH:30])[OH:31])[OH:32]>>[CH:1]1([N:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([S:16][CH2:37][CH2:36][CH2:35][N:34]([CH3:33])[CH3:39])[cH:14][n:15]2)[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

4

반응물 3

HCID 190011,4-Dimercapto-2,3-butanediolHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 866111921,1-Dicyclohexyl-3-(5-thiocyanato-thiazol-2-yl)-urea

생성물 1

HCID 578835221,1-Dicyclohexyl-3-[5-(3-dimethylamino-propylsulfanyl)-thiazol-2-yl]-urea

출처 및 근거

ORD 기록
ord-9deb6c5252504e3ea68229ae3408364c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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