HRID2338037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2724271

2-Chloromethyl 2-(trimethylsilyl)ethyl ether

C6H15ClOSi

结构：CC(C)(C)OC(=O)NC(Cc1ccc(I)c(Br)c1)c1ncc(-c2ccccc2)[nH]1

HCID178453276

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(I)c(Br)c1)c1ncc(-c2ccccc2)n1COCC[Si](C)(C)C

HCID178453275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a00a4a6be4264c7baa569a4bedd27a6c
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:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([c:11]2[nH:12][c:13](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:14][n:15]2)[NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:5][cH:6][c:7]1[I:8].[CH2:48]([Cl:49])[Cl:50].[CH3:30][Si:31]([CH2:32][CH2:33][O:34][CH2:35][Cl:36])([CH3:37])[CH3:38].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[OH2:51]>>[Br:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([c:11]2[n:12]([CH2:35][O:34][CH2:33][CH2:32][Si:31]([CH3:30])([CH3:37])[CH3:38])[c:13](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:14][n:15]2)[NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:5][cH:6][c:7]1[I:8]