HRID141078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

HCID86585029

未命名化合物

结构：CCCCN(CC)c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86626753

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(Br)cn1

HCID86626754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9739a6393d0b4c09a9420f52c661526d
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

[Br:35][c:36]1[cH:37][n:38][c:39]([Cl:42])[n:40][cH:41]1.[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH:49]([CH3:50])[CH3:51])[CH3:52])[CH3:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34].[OH2:67]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:39]2[n:38][cH:37][c:36]([Br:35])[cH:41][n:40]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]