HRID142520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2756424

tert-Butyl (2-aminoethyl)methylcarbamate

C8H18N2O2

结构：COc1ccc(NC(=O)c2ccc3nc(Br)sc3c2)cc1OC

HCID67236223

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2ccc3nc(NCCN(C)C(=O)OC(C)(C)C)sc3c2)cc1OC

HCID86654768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03d21e7abe47459ea8559319be0a8f8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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