HRID1203357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID24841

Hydrogen iodide

HCID92959

Benzenepropanoic acid, β-hydroxy-

C9H10O3

HCID181649

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

C5H4N4O

结构：Cc1onc2c1c(=O)n(C1CCCNC1)c1cccc(Cl)c21

HCID21963713

未命名化合物

PRODUCTS

生成物

结构：Cc1onc2c1c(=O)n(C1CCCN(C(=O)CC(O)c3ccccc3)C1)c1cccc(Cl)c21

HCID21963698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d806bb3a92a74aedbe57b07fba91215d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][N:66]([CH3:67])[c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1.[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[Cl:2][c:3]1[c:4]2[c:5]3[c:6]([c:7](=[O:19])[n:8]([CH:13]4[CH2:14][NH:15][CH2:16][CH2:17][CH2:18]4)[c:9]2[cH:10][cH:11][cH:12]1)[c:20]([CH3:23])[o:21][n:22]3.[ClH:36].[IH:1].[OH:24][CH:25]([CH2:26][C:27](=[O:28])[OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[OH:48][n:49]1[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Cl:2][c:3]1[c:4]2[c:5]3[c:6]([c:7](=[O:19])[n:8]([CH:13]4[CH2:14][N:15]([C:27]([CH2:26][CH:25]([OH:24])[c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)=[O:28])[CH2:16][CH2:17][CH2:18]4)[c:9]2[cH:10][cH:11][cH:12]1)[c:20]([CH3:23])[o:21][n:22]3