HRID1240929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

反应SMILES：COc1ccccc1C1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(Br)cc1

HCID178489262

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccccc1C1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1

HCID178489263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cd4b0a2000524d15a23d8ab82c723dde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:29])[c:10]3[nH:11][n:12][c:13]([C:24]([CH3:25])([CH3:26])[CH2:27][OH:28])[c:14]3[CH:15]2[c:16]2[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[K+:43].[K+:44].[K+:45].[OH2:52].[P:38]([O-:39])([O-:40])([O-:41])=[O:42].[s:30]1[cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1>>[c:2]1(-[c:32]2[cH:31][s:30][cH:34][cH:33]2)[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:29])[c:10]3[nH:11][n:12][c:13]([C:24]([CH3:25])([CH3:26])[CH2:27][OH:28])[c:14]3[CH:15]2[c:16]2[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1