HRID1143490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID2734349

3,5-Dimethylphenylboronic acid

C8H11BO2

HCID22125219

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2ccc3c(c2)CCC2N(C)C(=O)CCC32C)c1

HCID178424828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-651e4d5fa2c34a71b0b14407c43d25b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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