HRID1117465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

结构：CC(C)(C)OC(=O)N1CCc2c(cnc3[nH]nc(Br)c23)C1

HCID178451611

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1n[nH]c2ncc3c(c12)CCN(C(=O)OC(C)(C)C)C3

HCID178424207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-391ccde9169146a6bf0ddc0218cb6595
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

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