HRID2132314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID5964

Benzyltrimethylammonium

C10H16N+

3 次

HCID6344

Dichloromethane

CH2Cl2

结构：COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1

HCID764764

4-[4-(4-Methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

C17H16N2O3

PRODUCTS

生成物

结构：COc1ccc(-c2c(-c3cc(Br)c(O)cc3O)n[nH]c2C)cc1

HCID135423284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62dce2edae1c4361b7dd55d7a15307fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br-:1].[Br-:2].[Br-:3].[CH2:15]([N+:16]([CH3:17])([CH3:18])[CH3:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH2:26]([N+:27]([CH3:28])([CH3:29])[CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:4]([N+:5]([CH3:6])([CH3:7])[CH3:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42](-[c:45]2[c:46](-[c:51]3[c:52]([OH:58])[cH:53][c:54]([OH:57])[cH:55][cH:56]3)[n:47][nH:48][c:49]2[CH3:50])[cH:43][cH:44]1.[Cl:59][CH2:60][Cl:61]>>[Br:1][c:55]1[c:54]([OH:57])[cH:53][c:52]([OH:58])[c:51](-[c:46]2[c:45](-[c:42]3[cH:41][cH:40][c:39]([O:38][CH3:37])[cH:44][cH:43]3)[c:49]([CH3:50])[nH:48][n:47]2)[cH:56]1