HRID667559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID104727

Aluminum Cation

Al+3

结构：COc1ccc(-c2ccc3c(c2)C(NC(=O)OC(C)C)CC(C)N3C(C)=O)cc1OC

HCID178488452

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3c(c2)C(N)CC(C)N3C(C)=O)cc1OC

HCID178488451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef06c491192f43b0843581841b3c1484
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Al+3:33].[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH3:31])[CH2:6][CH:7]([NH:24][C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30])[c:8]2[cH:9][c:10](-[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]3)[cH:11][cH:12][c:13]21.[CH3:36][OH:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl-:32].[Cl-:34].[Cl-:35].[Cl:45][CH2:46][Cl:47]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH3:31])[CH2:6][CH:7]([NH2:24])[c:8]2[cH:9][c:10](-[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]3)[cH:11][cH:12][c:13]21