HRID2136462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID23068067

tert-Butyl 3-aminoazepane-1-carboxylate

C11H22N2O2

HCID68957975

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc(C(=O)NC3CCCCN(C(=O)OC(C)(C)C)C3)c(N)s2)cc1

HCID178488624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a1f10c536834f64af23163622f32520
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

[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH:27]([NH2:32])[CH2:28][CH2:29][CH2:30][CH2:31]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[NH2:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:5][c:6]1[C:7](=[O:8])[OH:9].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:38]>>[NH2:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:5][c:6]1[C:7](=[O:9])[NH:32][CH:27]1[CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:31][CH2:30][CH2:29][CH2:28]1