HRID99841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7891

1-Bromo-3-methylbutane

C5H11Br

HCID2794605

2-(bromomethyl)-5-(trifluoromethyl)furan

C6H4BrF3O

结构：Cc1noc2cc3c(cc12)C1(CO3)C(=O)Nc2ccccc21

HCID59352453

未命名化合物

HCID59352569

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN1C(=O)C2(COc3cc(F)c(F)cc32)c2ccccc21

HCID59352562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aac3ab026f2d48f9b45148a3b8f4cdd9
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

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