HRID671452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID5093369

2-methoxy-4-methylbenzenesulfonamide

C8H11NO3S

结构：COC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2ccc(Br)cc12

HCID22467212

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2ccc(Br)cc12

HCID22467216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e034a779d0f74ae181596fc80c44c14c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:26][O:27][c:28]1[c:29]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:30][cH:31][c:32]([CH3:34])[cH:33]1.[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[Cl:51][CH2:52][Cl:53].[ClH:39].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([C:11](=[O:12])[O:13][CH3:14])[c:15]1[cH:16][n:17]([CH3:25])[c:18]3[cH:19][cH:20][c:21]([Br:24])[cH:22][c:23]13)[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([C:11](=[O:12])[NH:38][S:35]([c:29]1[c:28]([O:27][CH3:26])[cH:33][c:32]([CH3:34])[cH:31][cH:30]1)(=[O:36])=[O:37])[c:15]1[cH:16][n:17]([CH3:25])[c:18]3[cH:19][cH:20][c:21]([Br:24])[cH:22][c:23]13)[cH:9]2