HRID1135999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID28123

Tetrahydroborate

H4B-

HCID78109

Benzaldehyde, 4-(phenylmethoxy)-

C14H12O2

结构：CC(C)COc1ccc(N)c(C(O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1

HCID54216676

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：CC(C)COc1ccc(NCc2ccc(OCc3ccccc3)cc2)c(C(O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1

HCID54426185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c1d7742930e41b4b8e53b8fc92a470c
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].[C:51]([Na:52])#[N:53].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][c:38]1[cH:39][cH:40][c:41]([CH:42]=[O:43])[cH:44][cH:45]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:54][OH:55].[NH2:1][c:2]1[c:3]([CH:4]([c:5]2[cH:6][c:7]([CH2:11][NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:8][cH:9][cH:10]2)[OH:20])[cH:21][c:22]([O:25][CH2:26][CH:27]([CH3:28])[CH3:29])[cH:23][cH:24]1.[OH2:56]>>[NH:1]([c:2]1[c:3]([CH:4]([c:5]2[cH:6][c:7]([CH2:11][NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:8][cH:9][cH:10]2)[OH:20])[cH:21][c:22]([O:25][CH2:26][CH:27]([CH3:28])[CH3:29])[cH:23][cH:24]1)[CH2:42][c:41]1[cH:40][cH:39][c:38]([O:37][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:45][cH:44]1