HRID1212849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2794605

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

C6H4BrF3O

HCID18361737

未命名化合物

HCID59352271

未命名化合物

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

HCID59352453

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc2c(cc1F)OCC21C(=O)N(Cc2ncccc2C(F)(F)F)c2ccccc21

HCID59352188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeeafea4e9144008a991075d0efee7a4
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:13][CH2:14][c:15]1[o:16][c:17]([C:18]([F:19])([F:20])[F:21])[cH:22][cH:23]1.[CH3:45][c:46]1[c:47]2[cH:48][c:49]3[c:62]([cH:63][c:64]2[o:65][n:66]1)[O:61][CH2:60][C:50]31[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[NH:57][C:58]1=[O:59].[Cl:1][CH2:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[C:9]([F:10])([F:11])[F:12].[F:24][c:25]1[cH:26][c:27]2[c:28]([cH:41][c:42]1[C:43]#[N:44])[C:29]1([CH2:30][O:31]2)[C:32](=[O:40])[NH:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]21>>[CH2:2]([c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])[N:33]1[C:32](=[O:40])[C:29]2([c:28]3[c:27]([cH:26][c:25]([F:24])[c:42]([C:43]#[N:44])[cH:41]3)[O:31][CH2:30]2)[c:39]2[c:34]1[cH:35][cH:36][cH:37][cH:38]2