HRID2338677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：CCC(C)(C)Cc1c[nH]c(C(Cc2ccc(Br)cc2)NC(C)=O)n1

HCID178442428

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(Cc2ccc(Br)cc2)NC(C)=O)n1

HCID66705710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45fe6dbe396340bba6f8a6b7c1fda3ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:15][c:16]1[cH:17][cH:18][c:19]([CH2:22][CH:23]([c:24]2[nH:25][cH:26][c:27]([CH2:29][C:30]([CH2:31][CH3:32])([CH3:33])[CH3:34])[n:28]2)[NH:35][C:36]([CH3:37])=[O:38])[cH:20][cH:21]1.[CH2:39]([Cl:40])[Cl:41].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:8][N:9]([S:10](=[O:11])(=[O:12])[Cl:13])[CH3:14].[OH2:42]>>[CH3:8][N:9]([S:10](=[O:11])(=[O:12])[n:25]1[c:24]([CH:23]([CH2:22][c:19]2[cH:18][cH:17][c:16]([Br:15])[cH:21][cH:20]2)[NH:35][C:36]([CH3:37])=[O:38])[n:28][c:27]([CH2:29][C:30]([CH2:31][CH3:32])([CH3:33])[CH3:34])[cH:26]1)[CH3:14]