HRID1206846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID13591069

3,4-Dihydroquinoline-1(2H)-carbonyl chloride

C10H10ClNO

结构：CCCCCNCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19024425

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)N1CCCc2ccccc21

HCID19024435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b78534195d8d44f7aa35dfc082c3b100
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

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