Dimethylformamide → 4-(8-Imino-6-thioxo-5-(4-methylphenyl)-5,7-diazaspiro[3.4]oct-7-yl)-2-trifluoromethylbenzonitrile

HRID 140222

반응식

[CH3:16][c:17]1[cH:18][cH:19][c:20]([NH:23][C:24]2([C:28]#[N:29])[CH2:25][CH2:26][CH2:27]2)[cH:21][cH:22]1.[N:1](=[C:2]=[S:3])[c:4]1[cH:5][c:6]([C:12]([F:13])([F:14])[F:15])[c:7]([C:8]#[N:9])[cH:10][cH:11]1.[O:30]=[CH:31][N:32]([CH3:33])[CH3:34]>>[N:1]1([c:4]2[cH:5][c:6]([C:12]([F:13])([F:14])[F:15])[c:7]([C:8]#[N:9])[cH:10][cH:11]2)[C:2](=[S:3])[N:23]([c:20]2[cH:19][cH:18][c:17]([CH3:16])[cH:22][cH:21]2)[C:24]2([CH2:25][CH2:26][CH2:27]2)[C:28]1=[NH:29]

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 116155404-Isothiocyanato-2-(trifluoromethyl)benzonitrile

HCID 609877761-(4-Methylphenyl)aminocyclobutanenitrile

생성물 1

HCID 159527814-(8-Imino-6-thioxo-5-(4-methylphenyl)-5,7-diazaspiro[3.4]oct-7-yl)-2-trifluoromethylbenzonitrile

출처 및 근거

ORD 기록: ord-59256272bea341c6b47d06b432f85cef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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