HRID1213992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15118

Indan-5-ol

C9H10O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

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：CC(CO)(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1)C(=O)Oc1ccc2c(c1)CCC2

HCID178459054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7817f4ccb91d42b8ab645061d23ee005
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

[CH2:52]1[CH2:53][CH2:54][c:55]2[cH:56][c:57]([OH:61])[cH:58][cH:59][c:60]21.[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH3:62][N:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Cl:69][CH2:70][Cl:71].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]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])[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][c:57]2[cH:56][c:55]3[c:60]([cH:59][cH:58]2)[CH2:52][CH2:53][CH2:54]3)=[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