HRID1150276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID4113

Methoxyamine

CH5NO

反应SMILES：CCOC(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC

HCID11584254

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(Cc1ccc(OCCn2c(=O)sc3cc(C(=NOC)c4ccccc4)ccc32)cc1)C(=O)OC

HCID72808510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e536587760d44a45bcdb7be8671720a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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