HRID297260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2801557

5-Methoxy[1,3]thiazolo[5,4-b]pyridin-2-amine

C7H7N3OS

结构：CCOCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1

HCID67486032

未命名化合物

PRODUCTS

生成物

结构：CCOCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1

HCID11420713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58245541aedd4e44a088cec3713863ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:55](=[O:56])([OH:57])[O-:58].[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39]2[c:40]([n:41]1)[s:42][c:43]([NH2:45])[n:44]2.[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[CH2:20][O:21][CH2:22][CH3:23])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:60][CH2:61][Cl:62].[Na+:59].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:45][c:43]2[s:42][c:40]3[c:39]([cH:38][cH:37][c:36]([O:35][CH3:34])[n:41]3)[n:44]2)[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[CH2:20][O:21][CH2:22][CH3:23])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1