HRID214807

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

HCID33589520

N-Methyl-1-(1-methyl-1H-indol-7-yl)methanamine

C11H14N2

HCID66966201

未命名化合物

PRODUCTS

生成物

结构：CN1CC(=O)Nc2ncc(C=CC(=O)N(C)Cc3cccc4ccn(C)c34)cc2C1

HCID66966539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26ff50ea3735483593bf6e4b91b94343
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

[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:16][N:17]1[CH2:18][C:19](=[O:33])[NH:20][c:21]2[c:22]([cH:24][c:25]([CH:28]=[CH:29][C:30](=[O:31])[OH:32])[cH:26][n:27]2)[CH2:23]1.[CH3:1][NH:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][n:11]([CH3:13])[c:12]12.[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[ClH:14].[ClH:15].[ClH:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[CH3:1][N:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][n:11]([CH3:13])[c:12]12)[C:30]([CH:29]=[CH:28][c:25]1[cH:24][c:22]2[c:21]([n:27][cH:26]1)[NH:20][C:19](=[O:33])[CH2:18][N:17]([CH3:16])[CH2:23]2)=[O:31]