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Methanol → 4-[3-[5-[2-(2-aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]-N-pyridin-2-ylbenzenesulfonamide

HRID 1133673
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HRID 1133673 반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[cH:8][cH:9]1.[CH3:41][O-:42].[CH3:49][OH:50].[Li+:43].[NH2:20][c:21]1[c:22]([C:27]#[C:28][c:29]2[c:30]([O:39][CH3:40])[cH:31][c:32]([O:37][CH3:38])[c:33]([CH:34]=[O:35])[cH:36]2)[cH:23][cH:24][cH:25][cH:26]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[C:1]([CH:2]=[CH:34][c:33]1[c:32]([O:37][CH3:38])[cH:31][c:30]([O:39][CH3:40])[c:29]([C:28]#[C:27][c:22]2[c:21]([NH2:20])[cH:26][cH:25][cH:24][cH:23]2)[cH:36]1)(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[cH:8][cH:9]1
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HCID 887MethanolHCID 6228DimethylformamideHCID 28486Lithium ionHCID 3826051MethoxideHCID 161156205-(2-Aminophenylethynyl)-2,4-dimethoxybenzaldehydeHCID 227503274-Acetyl-N-(2-pyridyl)benzenesulfonamide

생성물 1

HCID 69490143
4-[3-[5-[2-(2-aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]-N-pyridin-2-ylbenzenesulfonamide

출처 및 근거

ORD 기록
ord-c02f6c925d60471286d1c86f3b8c489e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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