HRID1140473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID69217

1-Methylhydantoin

C4H6N2O2

HCID166653

Hydride

H-

结构：C=C(c1ccc(CO)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID57799975

未命名化合物

PRODUCTS

生成物

结构：C=C(c1ccc(CN2C(=O)CN(C)C2=O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID11166317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec9376f21ec3449d8eb983c62c9e2c4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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