Toluene → 5-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile

HRID 157112

반응식

HRID 157112 반응식
[CH3:1][C:2]1([CH3:21])[O:3][C:4](=[O:20])[NH:5][c:6]2[c:7]1[cH:8][c:9](-[c:12]1[c:13]([CH3:19])[cH:14][c:15]([C:17]#[N:18])[s:16]1)[cH:10][cH:11]2.[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([P:28]2(=[S:31])[S:29][P:30]([c:32]3[cH:33][cH:34][c:35]([O:36][CH3:37])[cH:38][cH:39]3)(=[S:40])[S:41]2)[cH:42][cH:43]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:1][C:2]1([CH3:21])[O:3][C:4](=[S:31])[NH:5][c:6]2[c:7]1[cH:8][c:9](-[c:12]1[c:13]([CH3:19])[cH:14][c:15]([C:17]#[N:18])[s:16]1)[cH:10][cH:11]2

참가 물질

4

반응물 3

HCID 1140TolueneHCID 87949Lawesson's reagentHCID 98147685-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile

생성물 1

HCID 99729445-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile

출처 및 근거

ORD 기록
ord-430bd5cd521b4c40b82424b3960a93a2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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