HRID97083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID15880

p-Chlorophenylacetic acid

C8H7ClO2

HCID27833

2-Ethoxy-1-(ethoxycarbonyl)-1,2-dihydroquinoline

C14H17NO3

HCID66593195

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(N2CCOCC2=O)cc1)C1CC(O)CN1C(=O)Cc1ccc(Cl)cc1

HCID178522201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f0daa81470441aaa2afc4496155db98
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

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