HRID152350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID2736734

1-Cyano-4-fluoronaphthalene

C11H6FN

HCID2756030

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC1CCCN(c2ccc(C#N)c3ccccc23)C1

HCID69224037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98a7778e52834f358ccc67f87892cfa6
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

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([F:13])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[CH2:29]1[CH2:30][CH2:31][C:32]2=[N:37][CH2:36][CH2:35][CH2:34][N:33]2[CH2:38][CH2:39]1.[NH:14]1[CH2:15][CH:16]([CH2:20][NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:17][CH2:18][CH2:19]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([N:14]2[CH2:15][CH:16]([CH2:20][NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:17][CH2:18][CH2:19]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12