HRID115905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2734344

4-(Dimethylamino)phenylboronic acid

C8H12BNO2

HCID10093673

未命名化合物

PRODUCTS

生成物

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

HCID57756439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58fec9fa9efb40d7a9b7a6f5993f1db5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:36][N:37]([c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1)[CH3:47].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[I:13][c:14]1[n:15][c:16]([CH3:35])[cH:17][cH:18][c:19]1[O:20][c:21]1[cH:22][cH:23][n:24][c:25]2[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][c:30]12.[Na+:8].[OH2:48].[OH:9][C:10](=[O:11])[O-:12]>>[c:14]1(-[c:41]2[cH:40][cH:39][c:38]([N:37]([CH3:36])[CH3:47])[cH:43][cH:42]2)[n:15][c:16]([CH3:35])[cH:17][cH:18][c:19]1[O:20][c:21]1[cH:22][cH:23][n:24][c:25]2[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][c:30]12