Chloride → Ethyl 2-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)-5-chlorothiazole-4-carboxylate

HRID 1232898Notes

Reaction equation

HRID 1232898 reaction equation
[Br:23][c:24]1[s:25][c:26]([Cl:34])[c:27]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[n:28]1.[C:37](=[O:38])([O-:39])[O-:40].[CH2:121]1[O:122][CH2:123][CH2:124][O:125][CH2:126]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[N:16]([C:19]([CH3:20])=[O:21])[CH2:15][CH2:14][CH2:13]3)[O:22]1.[Cl-:36].[Cs+:41].[Cs+:42].[Li+:35].[OH2:120].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:9]1(-[c:24]2[s:25][c:26]([Cl:34])[c:27]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[n:28]2)[cH:10][cH:11][c:12]2[c:17]([cH:18]1)[N:16]([C:19]([CH3:20])=[O:21])[CH2:15][CH2:14][CH2:13]2

Participants

10

Reactant 9

HCID 312ChlorideHCID 962WaterHCID 19660Carbonate IonHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 11196524Ethyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylateHCID 594187501-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-1(2H)-yl)ethanoneHCID 178420554HCID 178420554, compound

Product 1

HCID 59418737Ethyl 2-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)-5-chlorothiazole-4-carboxylate

Sources & evidence

ORD record
ord-a70fff8440864e449d8118e2ae0aef2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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