HRID100974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID24841

Hydrogen iodide

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

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

C5H4N4O

结构：Cc1onc2c1c(=O)n(C1CCCC(CN)C1)c1ccncc21

HCID22170137

未命名化合物

PRODUCTS

生成物

结构：Cc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3ccccc3)C1)c1ccncc21

HCID10202002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4ac9b8b6fd748ea8b244a35c0d12c6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:35][N:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH3:45].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[ClH:34].[IH:1].[NH2:2][CH2:3][CH:4]1[CH2:5][CH:6]([n:10]2[c:11](=[O:24])[c:12]3[c:13]([c:14]4[cH:15][n:16][cH:17][cH:18][c:19]24)[n:20][o:21][c:22]3[CH3:23])[CH2:7][CH2:8][CH2:9]1.[OH:25][C:26](=[O:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[OH:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH:2]([CH2:3][CH:4]1[CH2:5][CH:6]([n:10]2[c:11](=[O:24])[c:12]3[c:13]([c:14]4[cH:15][n:16][cH:17][cH:18][c:19]24)[n:20][o:21][c:22]3[CH3:23])[CH2:7][CH2:8][CH2:9]1)[C:26](=[O:25])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1