Methyl iodide → 1-(1-Butyryl-piperidin-4-yl)-1-(trans-4-methyl-cyclohexyl)-3-(5-methylsulfanyl-thiazol-2-yl)-urea

HRID 121546

반응식

HRID 121546 반응식
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([C:13](=[O:14])[NH:15][c:16]2[s:17][c:18]([S:21][C:22]#[N:23])[cH:19][n:20]2)[CH:24]2[CH2:25][CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]2)[CH2:10][CH2:11]1.[I:39][CH3:40].[SH:31][CH2:32][CH:33]([CH:34]([CH2:35][SH:36])[OH:37])[OH:38]>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([C:13](=[O:14])[NH:15][c:16]2[s:17][c:18]([S:21][CH3:22])[cH:19][n:20]2)[CH:24]2[CH2:25][CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]2)[CH2:10][CH2:11]1

참가 물질

4

반응물 3

HCID 6328Methyl iodideHCID 190011,4-Dimercapto-2,3-butanediolHCID 866111891-(1-Butyryl-piperidin-4-yl)-1-(4-methyl-cyclohexyl)-3-(5-thiocyanato-thiazol-2-yl)-urea

생성물 1

HCID 578836881-(1-Butyryl-piperidin-4-yl)-1-(trans-4-methyl-cyclohexyl)-3-(5-methylsulfanyl-thiazol-2-yl)-urea

출처 및 근거

ORD 기록
ord-99b3540678ba469da2d3baa0a5ee22ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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