HRID101641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID2734617

tert-Butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C17H26BNO4

结构：CC1COCCN1c1cc(CS(=O)(=O)c2ccccc2)nc(Cl)n1

HCID178431561

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1c1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1

HCID178431560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6eb48b37c764d189ec9454bd2902403
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

[CH2:60]([CH2:61][O:62][CH3:63])[O:64][CH3:65].[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][cH:36][c:37]([NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[cH:38][cH:39]2)[O:48]1.[CH3:66][CH2:67][OH:68].[Cl:1][c:2]1[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:25]>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]([NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[cH:38][cH:39]2)[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1