Acetonitrile → Isothiourea-1a

HRID 151380

반응식

[CH3:27][C:28]#[N:29].[CH:1]1([NH:7][C:8](=[S:9])[NH:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:17][CH2:18][C:19]1=[CH:23][S:22][C:21]2=[N:24][CH2:25][CH2:26][N:20]12>>[CH:1]1([N:7]=[C:8]([S:9][CH2:18][C:19]2=[CH:23][S:22][C:21]3=[N:24][CH2:25][CH2:26][N:20]23)[NH:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 727200Dicyclohexylthiourea

HCID 5200347SBB013014

생성물 1

HCID 11176403Isothiourea-1a

출처 및 근거

ORD 기록: ord-62089e057b25423a93b5a880df2183b3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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