HRID1210412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID88675

1,8-Bis(dimethylamino)naphthalene

C14H18N2

结构：C=CCC(C)(CC(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1)C(=O)NC(CO)C(C)C

HCID76834707

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CO)C(C)C)C1=O

HCID76834599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57d7e44534354dad82d8314d271b078c
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

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][S:41](=[O:42])(=[O:43])[Cl:44].[CH3:45][N:46]([CH3:47])[c:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][c:54]2[N:55]([CH3:56])[CH3:57])[cH:58][cH:59][cH:60]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][C:10]([C:11](=[O:12])[NH:13][CH:14]([CH2:15][OH:16])[CH:17]([CH3:18])[CH3:19])([CH2:20][CH:21]=[CH2:22])[CH3:23])[CH:24]([OH:25])[c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[cH:5][cH:6][cH:7]1.[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[OH2:61].[cH:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH2:20][CH:21]=[CH2:22])([CH3:23])[C:11](=[O:12])[N:13]([CH:14]([CH2:15][OH:16])[CH:17]([CH3:18])[CH3:19])[CH:24]2[c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[cH:5][cH:6][cH:7]1