HRID2136082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID70146

1-Naphthalenecarbonyl chloride

C11H7ClO

HCID101984

3-(Pyridin-3-yl)prop-2-enoic acid

C8H7NO2

结构：Cc1ccc(CC2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID18703556

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC2CN(C(=O)C=Cc3cccnc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID178424602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f7308bcc10e42ee8953b9eaf943a225
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[Cl:63][CH2:64][Cl:65].[F:32][C:33]([c:34]1[cH:35][c:36]([C:37](=[O:38])[N:39]2[CH:40]([CH2:45][c:46]3[cH:47][c:48]([CH3:53])[c:49]([CH3:52])[cH:50][cH:51]3)[CH2:41][NH:42][CH2:43][CH2:44]2)[cH:54][c:55]([C:57]([F:58])([F:59])[F:60])[cH:56]1)([F:61])[F:62].[OH2:66].[c:19]1([C:20]([Cl:21])=[O:22])[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31]1.[n:1]1[cH:2][c:3]([CH:7]=[CH:8][C:9](=[O:10])[OH:11])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH:7]=[CH:8][C:9](=[O:11])[N:42]2[CH2:41][CH:40]([CH2:45][c:46]3[cH:47][c:48]([CH3:53])[c:49]([CH3:52])[cH:50][cH:51]3)[N:39]([C:37]([c:36]3[cH:35][c:34]([C:33]([F:32])([F:61])[F:62])[cH:56][c:55]([C:57]([F:58])([F:59])[F:60])[cH:54]3)=[O:38])[CH2:44][CH2:43]2)[cH:4][cH:5][cH:6]1