HRID959651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59343883

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(Br)cn1

HCID86626868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68167488fbef4523bb1232496ddabc82
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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