HRID144273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID45117642

N-Methylthieno[3,2-c]pyridine-2-methanamine

C9H10N2S

HCID53400832

3-(6-Aminopyridin-3-yl)prop-2-enoic acid

C8H8N2O2

PRODUCTS

生成物

结构：CN(Cc1cc2cnccc2s1)C(=O)C=Cc1ccc(N)nc1

HCID66967016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9a076e2f68148f4b4c4b10e9e432edf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:6][NH:7][CH2:8][c:9]1[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]2[s:17]1.[ClH:5].[NH2:18][c:19]1[cH:20][cH:21][c:22]([CH:25]=[CH:26][C:27](=[O:28])[OH:29])[cH:23][n:24]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:40].[OH2:53].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[CH3:6][N:7]([CH2:8][c:9]1[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]2[s:17]1)[C:27]([CH:26]=[CH:25][c:22]1[cH:21][cH:20][c:19]([NH2:18])[n:24][cH:23]1)=[O:29]