HRID2326387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12794989

4-Methoxybutanoyl chloride

C5H9ClO2

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccccc2N)cc1

HCID68506158

未命名化合物

PRODUCTS

生成物

结构：COCCCC(=O)Nc1ccccc1COC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCCOCc2ccccc2OC)cc1

HCID68502090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d226ed3843244b1aa2a3c0b949aec8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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