HRID2145106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID8025

Ethyl formate

C3H6O2

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID166653

Hydride

H-

结构：COC(=O)C(OCc1ccccc1)C(CC1CCCCC1)NC(=O)OC(C)(C)C

HCID13882364

未命名化合物

HCID16686348

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC1CCCCC1)C(C=O)OCc1ccccc1

HCID19817497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7195650dd04d417eb7fe567d78871bc9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:31]([Al+:32][CH2:33][CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39].[CH3:1][O:2][C:3]([CH:4]([CH:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[O:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29].[CH3:40][CH:41]([CH2:42][AlH:43][CH2:44][CH:45]([CH3:46])[CH3:47])[CH3:48].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:61][OH:62].[CH:49]([O:50][CH2:51][CH3:52])=[O:53].[H-:30]>>[O:2]=[CH:3][CH:4]([CH:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[O:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1