HRID1212655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID14487

Diisobutylaluminum hydride

C8H19Al

结构：CCCCc1c(CCCC(=O)OCC)c(C)nc2c(-c3c(C)cc(C)cc3C)c(C)nn12

HCID22249666

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(CCCCO)c(C)nc2c(-c3c(C)cc(C)cc3C)c(C)nn12

HCID22249512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14554e7f119245379f6ca87ea9212808
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:10]([CH2:11][CH2:12][CH3:13])[c:14]1[c:15]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:16]([CH3:33])[n:17][c:18]2[n:19]1[n:20][c:21]([CH3:32])[c:22]2-[c:23]1[c:24]([CH3:31])[cH:25][c:26]([CH3:30])[cH:27][c:28]1[CH3:29].[CH3:1][CH:2]([CH2:3][AlH:4][CH2:5][CH:6]([CH3:7])[CH3:8])[CH3:9].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:48]>>[CH2:10]([CH2:11][CH2:12][CH3:13])[c:14]1[c:15]([CH2:34][CH2:35][CH2:36][CH2:37][OH:38])[c:16]([CH3:33])[n:17][c:18]2[n:19]1[n:20][c:21]([CH3:32])[c:22]2-[c:23]1[c:24]([CH3:31])[cH:25][c:26]([CH3:30])[cH:27][c:28]1[CH3:29]