HRID205447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID7932

3-Chloroaniline

C6H6ClN

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：CCCc1nnc2c(=O)[nH]c3cc(C(=O)O)ccc3n12

HCID58575281

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1nnc2c(=O)[nH]c3cc(C(=O)Nc4cccc(Cl)c4)ccc3n12

HCID67135569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7368811ff5764fb3bbda1124deddab8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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