HRID289014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736624

3-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C10H6ClF3N2O

HCID2794605

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

C6H4BrF3O

HCID53375495

未命名化合物

结构：O=C1Nc2cccc(Br)c2C12COc1cc3c(cc12)OCO3

HCID59263372

未命名化合物

PRODUCTS

生成物

结构：O=C1N(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)c2ccccc2C12COc1cc3c(cc12)OCO3

HCID59263390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54e12fa0d035479984798e9fc3803854
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[c:43]1[C:31]1([C:29](=[O:30])[NH:28]2)[c:32]2[cH:33][c:34]3[c:38]([cH:39][c:40]2[O:41][CH2:42]1)[O:37][CH2:36][O:35]3.[Br:61][CH2:62][c:63]1[o:64][c:65]([C:66]([F:67])([F:68])[F:69])[cH:70][cH:71]1.[Cl:44][CH2:45][c:46]1[n:47][o:48][c:49](-[c:51]2[cH:52][cH:53][c:54]([C:57]([F:58])([F:59])[F:60])[cH:55][cH:56]2)[n:50]1.[NH:1]1[C:2](=[O:21])[C:3]2([CH2:4][O:5][c:6]3[c:7]2[cH:8][c:9]2[c:10]([cH:14]3)[O:11][CH2:12][O:13]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21>>[N:1]1([CH2:45][c:46]2[n:47][o:48][c:49](-[c:51]3[cH:52][cH:53][c:54]([C:57]([F:58])([F:59])[F:60])[cH:55][cH:56]3)[n:50]2)[C:2](=[O:21])[C:3]2([CH2:4][O:5][c:6]3[c:7]2[cH:8][c:9]2[c:10]([cH:14]3)[O:11][CH2:12][O:13]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21