HRID281118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID28486

Lithium ion

Li+

HCID79664

Phenyl vinyl sulfone

C8H8O2S

HCID86646862

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CC(S(=O)(=O)c2ccccc2)C(c2ccc(C(C)(C)C)cc2)N1

HCID66770828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79a2a938cb5d4716bbb5ae83d1e79b49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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