HRID170259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID996

Phenol

C6H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

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(Oc3ccccc3)ccc2N(Cc2ccccc2)C1)c1ccccc1

HCID25006924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0f30c637cac48aa887e654a4bb06469
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[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.[Cu:47]([I:48])[I:49].[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[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]([O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:15][cH:16][c:17]21