HRID195583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID10008

Fluorobenzene

C6H5F

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

结构：O=S(=O)(NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1)c1ccccc1

HCID59778201

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1)c1ccccc1

HCID59778143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f9795b3c10a42018bb26e8c33f9add5
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

[BH:29]([OH:30])[OH:31].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:11][c:12]2[cH:13][c:14]([Br:18])[cH:15][cH:16][c:17]21.[F:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[OH2:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:11][c:12]2[cH:13][c:14](-[c:36]3[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]3)[cH:15][cH:16][c:17]21