HRID1561223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID13156

2-Butanone, 1-bromo-

C4H7BrO

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：CC(C(=O)OC(C)(C)C)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

HCID22017175

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)CN(C1CCN(C(C)C(=O)OC(C)(C)C)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1

HCID178459296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daa1ea4f3b514b828907c8dcec9db14f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:41][CH2:42][C:43]([CH2:44][CH3:45])=[O:46].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:31][Si:32]([N-:33][Si:34]([CH3:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39].[CH3:47][OH:48].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[NH:15][CH:16]3[C:17](=[O:30])[N:18]([CH:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH3:29])[CH2:19][CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1.[Li+:40]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]([CH:16]3[C:17](=[O:30])[N:18]([CH:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH3:29])[CH2:19][CH2:20]3)[CH2:42][C:43]([CH2:44][CH3:45])=[O:46])[cH:8][c:9]2[cH:10][cH:11]1