HRID686084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID67124140

未命名化合物

结构：Cc1c(CN(C)C)n(C(C)C)c2cc(Cl)cc(C(=O)O)c12

HCID67468452

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc2c1c(C)c(CN(C)C)n2C(C)C

HCID67464227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b830c51436d4dff8d8a24ddc8cb2c23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl:2][c:3]1[cH:4][c:5]([C:20](=[O:21])[OH:22])[c:6]2[c:7]([CH3:19])[c:8]([CH2:15][N:16]([CH3:17])[CH3:18])[n:9]([CH:12]([CH3:13])[CH3:14])[c:10]2[cH:11]1.[Cl:62][CH2:63][Cl:64].[ClH:1].[NH2:23][CH2:24][c:25]1[c:26](=[O:35])[nH:27][c:28]([CH3:34])[cH:29][c:30]1[CH2:31][CH2:32][CH3:33].[OH:36][n:37]1[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[Cl:2][c:3]1[cH:4][c:5]([C:20](=[O:21])[NH:23][CH2:24][c:25]2[c:26](=[O:35])[nH:27][c:28]([CH3:34])[cH:29][c:30]2[CH2:31][CH2:32][CH3:33])[c:6]2[c:7]([CH3:19])[c:8]([CH2:15][N:16]([CH3:17])[CH3:18])[n:9]([CH:12]([CH3:13])[CH3:14])[c:10]2[cH:11]1