HRID1114996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID24385

未命名化合物

HCID28123

Tetrahydroborate

H4B-

结构：C=C(C(=O)OCc1ccccc1)C1C(C(C)OC(=O)OCc2ccccc2)C(=O)N1C(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

HCID178460435

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)C(C(C)OC(=O)OCc3ccccc3)C2C(C)C(=O)OCc2ccccc2)cc1

HCID178490042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5abda801c74e4a1797f03c0e3e2136a3
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

[BH4-:50].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11](=[CH2:12])[CH:13]1[CH:14]([CH:37]([CH3:38])[O:39][C:40](=[O:41])[O:42][CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[C:15](=[O:36])[N:16]1[CH:17]([CH2:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)[CH2:27][c:28]1[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1.[CH3:52][OH:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Na+:51].[Ni:60]([Cl:61])[Cl:62]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]([CH3:12])[CH:13]1[CH:14]([CH:37]([CH3:38])[O:39][C:40](=[O:41])[O:42][CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[C:15](=[O:36])[N:16]1[CH:17]([CH2:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)[CH2:27][c:28]1[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1