HRID683705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID59447456

未命名化合物

HCID59447676

tert-Butyl 3-bromo-6-chloropyridine-2-carboxylate

C10H11BrClNO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)ccc1Br

HCID59447615

tert-Butyl 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-bromopyridine-2-carboxylate

C27H25BrN4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a6cbc60a62646ab99f3fa0d682afec1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:7][c:8]1[c:9]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[n:10][c:11]([Cl:14])[cH:12][cH:13]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[ClH:22].[ClH:23].[Cs+:5].[Cs+:6].[OH:52][C:53]([CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH2:59][C:60](=[O:61])[OH:62])[OH:63])=[O:64].[s:24]1[c:25]([NH:33][C:34](=[O:35])[c:36]2[cH:37][cH:38][cH:39][c:40]3[c:45]2[CH2:44][NH:43][CH2:42][CH2:41]3)[n:26][c:27]2[c:28]1[cH:29][cH:30][cH:31][cH:32]2>>[Br:7][c:8]1[c:9]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[n:10][c:11]([N:43]2[CH2:42][CH2:41][c:40]3[cH:39][cH:38][cH:37][c:36]([C:34]([NH:33][c:25]4[s:24][c:28]5[c:27]([n:26]4)[cH:32][cH:31][cH:30][cH:29]5)=[O:35])[c:45]3[CH2:44]2)[cH:12][cH:13]1