HRID141801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID81531

Diisopropylethylamine

C8H19N

HCID2736753

3,4-Difluorobenzene-1,2-diamine

C6H6F2N2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)Nc1ccc(F)c(F)c1N

HCID58024790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbe9ac9516a04ad7b28400253b4e4c3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[OH:12].[CH2:13]([Cl:14])[CH2:15][Cl:16].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[F:27][c:28]1[c:29]([NH2:36])[c:30]([NH2:35])[cH:31][cH:32][c:33]1[F:34].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:12])[NH:35][c:30]1[c:29]([NH2:36])[c:28]([F:27])[c:33]([F:34])[cH:32][cH:31]1