HRID1205667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID12144656

METHYL 3-(BROMOMETHYL)-4-CHLOROBENZOATE

C9H8BrClO2

HCID178522346

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cl)c(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c1

HCID59547941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bfcf4ebf09a44289b7cdf9e61a9ff0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:27][CH2:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][c:38]1[Cl:39].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[CH3:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl-:40].[F:11][c:12]1[c:13]([C:14](=[O:15])[NH:16][c:17]2[n:18][nH:19][cH:20][cH:21]2)[c:22]([F:26])[cH:23][cH:24][cH:25]1.[Li+:1].[NH4+:41]>>[F:11][c:12]1[c:13]([C:14](=[O:15])[NH:16][c:17]2[n:18][n:19]([CH2:28][c:29]3[cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][c:38]3[Cl:39])[cH:20][cH:21]2)[c:22]([F:26])[cH:23][cH:24][cH:25]1