HRID118084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10510878

4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one

C5H6O4

结构：CC(CO)(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1)C(=O)O

HCID178459053

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(=O)oc1COC(=O)C(C)(CO)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1

HCID178434956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a6509c438d84ade91bd7d89af7fc8b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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