HRID200421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759728

3-methoxypropanoyl chloride

C4H7ClO2

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2cccc(N)c2)cc1

HCID68505086

未命名化合物

PRODUCTS

生成物

结构：COCCC(=O)Nc1cccc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCCOCc3ccccc3OC)cc2)c1

HCID68505283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5b8d2d9872a4bc5806f94339c593e40
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

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