HRID189385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID28123

Tetrahydroborate

H4B-

HCID68023

4-Fluorobenzaldehyde

C7H5FO

结构：CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2N)c1

HCID54358865

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2NCc2ccc(F)cc2)c1

HCID54315958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a790bb956a740f5b3ec6f021c170e76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH4-:39].[C:40]([Na:41])#[N:42].[CH3:35][C:36](=[O:37])[OH:38].[CH3:43][OH:44].[F:26][c:27]1[cH:28][cH:29][c:30]([CH:31]=[O:32])[cH:33][cH:34]1.[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]([Cl:25])[cH:23][cH:24]1>>[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]([Cl:25])[cH:23][cH:24]1)[CH2:31][c:30]1[cH:29][cH:28][c:27]([F:26])[cH:34][cH:33]1