HRID112750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

9 次

HCID8071

未命名化合物

HCID104810

Barium (II) ion

Ba+2

HCID2734659

2,4-Dichlorophenylboronic acid

C6H5BCl2O2

HCID22024469

未命名化合物

PRODUCTS

产物

HCID22024562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-752bc16c07f84cd2aaef0ff23e303905
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

[Ba+2:41].[Br:1][c:2]1[c:3]2[n:4]([cH:5][c:6]([CH3:8])[cH:7]1)[c:9]([N:14]([CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH3:20])[c:10]([S:12][CH3:13])[n:11]2.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl:21][c:22]1[c:23]([B:29]([OH:30])[OH:31])[cH:24][cH:25][c:26]([Cl:28])[cH:27]1.[OH-:40].[OH-:42].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:49]>>[c:2]1(-[c:23]2[c:22]([Cl:21])[cH:27][c:26]([Cl:28])[cH:25][cH:24]2)[c:3]2[n:4]([cH:5][c:6]([CH3:8])[cH:7]1)[c:9]([N:14]([CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH3:20])[c:10]([S:12][CH3:13])[n:11]2