HRID2134313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID34367

1-(9-Fluorenyl)methyl chloroformate

C15H11ClO2

结构：COc1ccccc1NCc1c(-c2ccc(O)cc2OC)ccc2c1C(C)=CC(C)(C)N2

HCID25015626

未命名化合物

PRODUCTS

生成物

结构：COc1cc(O)ccc1-c1ccc2c(c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)c1ccccc1OC)C(C)=CC(C)(C)N2

HCID66992901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f160a81114ab45d6ac85221bf8e25cae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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