HRID154055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID66648

2-Chlorobenzylamine

C7H8ClN

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID738389

7-chloro-4-(piperazin-1-yl)quinoline

C13H14ClN3

PRODUCTS

生成物

结构：O=C(NCc1ccccc1Cl)N1CCN(c2ccnc3cc(Cl)ccc23)CC1

HCID21101756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30c2a91d8c844af4950bb5ae16547c9c
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

[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:10][C:11](=[O:12])[O:13][c:14]1[cH:15][cH:16][c:17]([N+:18]([O-:19])=[O:20])[cH:21][cH:22]1.[Cl:1][c:2]1[c:3]([CH2:4][NH2:5])[cH:6][cH:7][cH:8][cH:9]1.[Cl:30][c:31]1[cH:32][cH:33][c:34]2[c:35]([N:41]3[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[cH:36][cH:37][n:38][c:39]2[cH:40]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:11](=[O:12])[N:44]2[CH2:43][CH2:42][N:41]([c:35]3[c:34]4[cH:33][cH:32][c:31]([Cl:30])[cH:40][c:39]4[n:38][cH:37][cH:36]3)[CH2:46][CH2:45]2)[cH:6][cH:7][cH:8][cH:9]1