HRID1538672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID17211

4-Amino-3-chlorobenzoic acid

C7H6ClNO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)OC(C)(C)C

HCID22168414

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCCC1C(=O)OC(C)(C)C

HCID53693425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61db75c342d445afb58a5ad5872c7f93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:13]([CH:14]([CH3:15])[NH:16][C:17]([O:19][CH2:18][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[O:26])=[O:27])[CH2:10][CH2:11][CH2:12]1.[CH2:58]([Cl:59])[CH2:60][Cl:61].[CH3:62][OH:63].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:70][CH2:71][Cl:72].[NH2:28][c:29]1[c:30]([Cl:38])[cH:31][c:32]([C:33]([OH:34])=[O:35])[cH:36][cH:37]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:13]([CH:14]([CH3:15])[NH:16][C:17](=[O:19])[c:32]2[cH:31][c:30]([Cl:38])[c:29]([NH2:28])[cH:37][cH:36]2)=[O:27])[CH2:10][CH2:11][CH2:12]1