Chloride → Ethyl 2-(1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-5-(3-chloropropyl)thiazole-4-carboxylate

HRID 684823Notes

Reaction equation

HRID 684823 reaction equation
[Br:1][c:2]1[s:3][c:4]([CH2:12][CH2:13][CH2:14][Cl:15])[c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:16][C:17]1([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22][B:23]([c:24]2[cH:25][cH:26][c:27]3[c:32]([cH:33]2)[N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:29][CH2:28]3)[O:41]1.[Cl-:43].[Cs+:48].[Cs+:49].[Li+:42].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:133].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:24]2[cH:25][cH:26][c:27]3[c:32]([cH:33]2)[N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:29][CH2:28]3)[s:3][c:4]([CH2:12][CH2:13][CH2:14][Cl:15])[c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 962WaterHCID 19660Carbonate IonHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 59418661Ethyl 2-bromo-5-(3-chloropropyl)thiazole-4-carboxylateHCID 59418664tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinoline-1(2H)-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 59418759Ethyl 2-(1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-5-(3-chloropropyl)thiazole-4-carboxylate

Sources & evidence

ORD record
ord-1739e15a41014cfdb7ad53c7b91c3519
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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