HRID160631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID1477439

2-(4-piperidinyl)-1,3-benzothiazole

C12H14N2S

结构：COc1ccc(C2(CCS(C)(=O)=O)CCN(C(=O)c3ccccc3)C2)cc1OC

HCID15542884

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(CCN3CCC(c4nc5ccccc5s4)CC3)CCN(C(=O)c3ccccc3)C2)cc1OC

HCID10187690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baae904f2c0e409cad1488022c985503
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][C:11]([CH2:14][CH2:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[CH2:12][CH2:13]1.[C:45](=[O:46])([OH:47])[O-:48].[Cl:50][CH2:51][Cl:52].[Na+:49].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:53].[s:30]1[c:31]([CH:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[n:32][c:33]2[c:34]1[cH:35][cH:36][cH:37][cH:38]2>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][C:11]([CH2:14][CH2:15][N:42]2[CH2:41][CH2:40][CH:39]([c:31]3[s:30][c:34]4[c:33]([n:32]3)[cH:38][cH:37][cH:36][cH:35]4)[CH2:44][CH2:43]2)([c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[CH2:12][CH2:13]1