HRID2145945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID57825683

未命名化合物

HCID66905303

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cccc2c1ccn2C)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2

HCID66966671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01f8897e2f9b40bb93ba61966afefcb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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