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Dimethylformamide → 5-[4-[2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

HRID 186386
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HRID 186386 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:31]2[CH2:32][C:33](=[O:44])[N:34]([CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[S:35]2(=[O:36])=[O:37])[cH:11][cH:12][c:13]([CH:15]=[CH:16][CH:17]2[N:18]([S:27](=[O:28])(=[O:29])[CH3:30])[CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[CH2:26]2)[cH:14]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:31]2[CH2:32][C:33](=[O:44])[NH:34][S:35]2(=[O:36])=[O:37])[cH:11][cH:12][c:13]([CH:15]=[CH:16][CH:17]2[N:18]([S:27](=[O:28])(=[O:29])[CH3:30])[CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[CH2:26]2)[cH:14]1
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참가 물질

4

반응물 3

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 688389965-[4-[2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-2-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-3-one

생성물 1

HCID 689963195-[4-[2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

출처 및 근거

ORD 기록
ord-ad1819efffad43a7b04800b29cc9107a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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