HRID1540192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID28123

Tetrahydroborate

H4B-

HCID2776272

Benzyl 4-formylpiperidine-1-carboxylate

C14H17NO3

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)ccc2NCC2CCN(C(=O)OCc3ccccc3)CC2)c1

HCID70156655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9034480112664e56b13293a6657acc52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:23].[C:24]([Na:25])#[N:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([CH:17]=[O:18])[CH2:15][CH2:16]1.[CH3:19][C:20](=[O:21])[OH:22].[CH3:52][OH:53].[NH2:27][c:28]1[c:29]([CH:30]([c:31]2[cH:32][c:33]([CH2:37][NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:34][cH:35][cH:36]2)[OH:46])[cH:47][c:48]([Cl:51])[cH:49][cH:50]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([CH2:17][NH:27][c:28]2[c:29]([CH:30]([c:31]3[cH:32][c:33]([CH2:37][NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:34][cH:35][cH:36]3)[OH:46])[cH:47][c:48]([Cl:51])[cH:49][cH:50]2)[CH2:15][CH2:16]1