HRID1140955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)CC1CC(c2onc(C(CCCOCc3ccccc3)CC(=O)OC(C)(C)C)c2C2CC2)C1

HCID71127331

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1CC(c2onc(C(CCCO)CC(=O)OC(C)(C)C)c2C2CC2)C1

HCID71127332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4db436c905c4cdcab23b43290b88eec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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