HRID111355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28557

18-Crown-6

C12H24O6

HCID123057

1-(Bromomethyl)-2-(trifluoromethyl)benzene

C8H6BrF3

HCID4574913

未命名化合物

结构：CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2[nH]1

HCID22144643

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1C(F)(F)F

HCID22144650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56bdd3544e784146800a4715f7ff63ff
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

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