HRID672854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1672

3-Methoxypropylamine

C4H11NO

结构：COC(=O)CCCCCOc1ccc2nc(SCc3ccccc3)n(-c3ccc(C)cc3)c2c1

HCID10162512

未命名化合物

PRODUCTS

生成物

结构：COCCCNC(=O)CCCCCOc1ccc2nc(SCc3ccccc3)n(-c3ccc(C)cc3)c2c1

HCID69438142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6c8f9c1140e4f688991bde9afdfa3ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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