HRID116041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID100826

N-Isopropyl-1-piperazineacetamide

C9H19N3O

结构：O=C(O)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1

HCID58327807

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)CN1CCN(C(=O)c2cccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)c2)CC1

HCID67092103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d979656c3a384093a8cbad5bea169e01
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

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