Water → Ethyl 4-oxo-1-{[6-(1,3-thiazol-4-yl)pyridin-3-yl]methyl}-1,4-dihydrocinnoline-3-carboxylate

HRID 97533Notes

Reaction equation

HRID 97533 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:12](=[O:19])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1.[CH2:25]([Sn:26]([CH2:27][CH2:28][CH2:29][CH3:35])([c:30]1[n:31][cH:32][s:33][cH:34]1)[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[Cs+:44].[Cu:45][I:46].[F-:43].[OH2:124].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:30]2[n:31][cH:32][s:33][cH:34]2)[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:12](=[O:19])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 104967Cesium cationHCID 27632584-(Tri-n-butylstannyl)thiazoleHCID 86660005Ethyl 1-[(6-bromopyridin-3-yl)methyl]-4-oxo-1,4-dihydrocinnoline-3-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 68796827Ethyl 4-oxo-1-{[6-(1,3-thiazol-4-yl)pyridin-3-yl]methyl}-1,4-dihydrocinnoline-3-carboxylate

Sources & evidence

ORD record
ord-c6fb9c3075684af595fae4795934f1db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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