HRID177875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID59340341

未命名化合物

HCID66966201

未命名化合物

PRODUCTS

生成物

结构：CN1CC(=O)Nc2ncc(C=CC(=O)N(C)Cc3cccc4cc[nH]c34)cc2C1

HCID66966514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7dc2b2c300a46db9e8e067e5ef261b5
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

[CH2:52]([Cl:53])[CH2:54][Cl:55].[CH3:15][N:16]1[CH2:17][C:18](=[O:32])[NH:19][c:20]2[c:21]([cH:23][c:24]([CH:27]=[CH:28][C:29](=[O:30])[OH:31])[cH:25][n:26]2)[CH2:22]1.[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[ClH:13].[ClH:14].[ClH:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([CH2:10][NH:11][CH3:12])[c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([CH2:10][N:11]([CH3:12])[C:29]([CH:28]=[CH:27][c:24]3[cH:23][c:21]4[c:20]([n:26][cH:25]3)[NH:19][C:18](=[O:32])[CH2:17][N:16]([CH3:15])[CH2:22]4)=[O:31])[c:9]12