HRID145930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID18711878

未命名化合物

结构：O=Cc1nc(Br)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86247220

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(Cl)c(F)c(C(O)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68816252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e27c7bd1a934a45a25d78f0532077b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:16][c:17]1[n:18][c:19]([CH:41]=[O:42])[n:20]([C:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:21]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:11][CH2:12][CH2:13][CH2:14][Li:15].[Cl:1][c:2]1[c:3]([F:10])[cH:4][cH:5][c:6]([CH2:8][CH3:9])[cH:7]1>>[Cl:1][c:2]1[c:3]([F:10])[c:4]([CH:41]([c:19]2[n:18][c:17]([Br:16])[cH:21][n:20]2[C:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[OH:42])[cH:5][c:6]([CH2:8][CH3:9])[cH:7]1