HRID95897

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

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)C1CCCN1C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C

HCID66698278

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCCN1C(=O)C(NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C

HCID10203484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6cd8f9890c94fc5b3fb1fa8eb15a754
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:13]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[NH:19][C:20]([O:22][CH2:21][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:29])=[O:30])[CH2:10][CH2:11][CH2:12]1.[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH3:55][OH:56].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:63][CH2:64][Cl:65].[NH2:31][c:32]1[c:33]([Cl:41])[cH:34][c:35]([C:36]([OH:37])=[O:38])[cH:39][cH:40]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:13]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[NH:19][C:20](=[O:22])[c:35]2[cH:34][c:33]([Cl:41])[c:32]([NH2:31])[cH:40][cH:39]2)=[O:30])[CH2:10][CH2:11][CH2:12]1