HRID93188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID784

Hydrogen peroxide

H2O2

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCC1CCC(C2CCC(=CCc3ccc(F)c(F)c3)CC2)CC1

HCID18372060

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(C2CCC(C(O)Cc3ccc(F)c(F)c3)CC2)CC1

HCID18372059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faaca60605ed4db0ae78f481d62fb693
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

[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:28][CH2:29][OH:30].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]=[C:11]2[CH2:12][CH2:13][CH:14]([CH:17]3[CH2:18][CH2:19][CH:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH2:21][CH2:22]3)[CH2:15][CH2:16]2)[cH:5][cH:6][c:7]1[F:8].[OH2:33].[OH:31][OH:32]>>[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([CH:11]2[CH2:12][CH2:13][CH:14]([CH:17]3[CH2:18][CH2:19][CH:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH2:21][CH2:22]3)[CH2:15][CH2:16]2)[OH:30])[cH:5][cH:6][c:7]1[F:8]