HRID1120377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID192746

Tetrahydro-1,4-benzodiazepin-2-one

C9H10N2O

结构：CC(C)(C)OC(=O)NC(CC(=O)O)Cc1cc(F)c(F)cc1F

HCID21911205

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)N1CC(=O)Nc2ccccc2C1)Cc1cc(F)c(F)cc1F

HCID77552352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83c65a94f5484b87856dede9df6fbb6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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