HRID1547753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

结构：CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1

HCID138089

2,4,6-Tri-t-butyl-1-bromobenzene

C18H29Br

结构：COC(=O)CCNC(=O)c1ccc(C(CCCC(F)(F)F)Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

HCID67153418

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCNC(=O)c1ccc(C(CCCC(F)(F)F)Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1

HCID67153635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ba2afa2a172429db79a321ac2b9f264
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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