HRID109655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)CC1CCn2c1c(I)c1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12

HCID67249572

未命名化合物

HCID178477795

未命名化合物

PRODUCTS

生成物

结构：Cc1c2n(c3ccc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)cc13)CCC2CC(=O)OC(C)(C)C

HCID67376009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15fb6bd927564b869e6a63310974f4c9
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

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