HRID2144754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1nc(I)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID66738777

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccnn1-c1ccc(Cl)cc1

HCID67345704

1H-Pyrazole, 1-(4-chlorophenyl)-5-(tributylstannyl)-

C21H33ClN2Sn

PRODUCTS

生成物

结构：COC(=O)c1nc(-c2ccnn2-c2ccc(Cl)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID68731759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-994597dd6dfe4e4297f94ee4d7f41b56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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