HRID1129596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

结构：Cc1nsc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(OC(C)CO[Si](C)(C)C(C)(C)C)c2)n1

HCID69194858

未命名化合物

PRODUCTS

生成物

结构：Cc1nsc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(OC(C)CO)c2)n1

HCID178434792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89007bc5ea33421ea88f4ca83a9dd802
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:42](=[O:43])([OH:44])[O-:45].[CH3:47][OH:48].[ClH:1].[N:2]1([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([O:12][c:13]3[cH:14][c:15]([C:16](=[O:17])[NH:18][c:19]4[n:20][c:21]([CH3:24])[n:22][s:23]4)[cH:25][c:26]([O:28][CH:29]([CH2:30][O:31][Si:32]([C:33]([CH3:34])([CH3:35])[CH3:36])([CH3:37])[CH3:38])[CH3:39])[cH:27]3)[cH:40][cH:41]2)[CH2:3][CH2:4][CH2:5]1.[Na+:46]>>[N:2]1([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([O:12][c:13]3[cH:14][c:15]([C:16](=[O:17])[NH:18][c:19]4[n:20][c:21]([CH3:24])[n:22][s:23]4)[cH:25][c:26]([O:28][CH:29]([CH2:30][OH:31])[CH3:39])[cH:27]3)[cH:40][cH:41]2)[CH2:3][CH2:4][CH2:5]1