HRID119545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID59447456

未命名化合物

HCID59447499

Methyl 2-chloro-5-iodo-1,3-thiazole-4-carboxylate

C5H3ClINO2S

PRODUCTS

生成物

结构：COC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1I

HCID59447550

Methyl 2-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-5-iodo-4-thiazolecarboxylate

C22H17IN4O3S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93b013426efd4674908e0afd43aa19c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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