HRID94917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID75454

4-tert-Butylbenzenethiol

C10H14S

结构：ICCCCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(OC4CCCCO4)ccc32)cc1

HCID21868823

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(SCCCCCOc2ccc(C3=C(c4ccccc4)CCCc4cc(OC5CCCCO5)ccc43)cc2)cc1

HCID69589664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57058d07f3ea430b9a462e5b72acb53d
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

[C:40]([CH3:41])([CH3:42])([CH3:43])[c:44]1[cH:45][cH:46][c:47]([SH:50])[cH:48][cH:49]1.[CH3:56][CH2:57][O:58][CH2:59][CH3:60].[I:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([C:14]2=[C:15]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:16][CH2:17][CH2:18][c:19]3[c:20]2[cH:21][cH:22][c:23]([O:25][CH:26]2[O:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:24]3)[cH:12][cH:13]1.[K+:39].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:38]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([C:14]2=[C:15]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:16][CH2:17][CH2:18][c:19]3[c:20]2[cH:21][cH:22][c:23]([O:25][CH:26]2[O:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:24]3)[cH:12][cH:13]1)[S:50][c:47]1[cH:46][cH:45][c:44]([C:40]([CH3:41])([CH3:42])[CH3:43])[cH:49][cH:48]1