HRID210608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID2773480

4-Isopropylphenylboronic acid

C9H13BO2

HCID10093673

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(C)nc3-c3ccc(C(C)C)cc3)c2cc1OC

HCID57756401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26df716992b848ee9ab348b2baa15987
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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