Toluene → Tert-butyl 4-(2-(7-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl)piperazine-1-carboxylate

HRID 1114282Notes

Reaction equation

HRID 1114282 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cs+:50].[Cs+:51].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][n:19][c:20]4[n:21]3[cH:22][cH:23][c:24]([O:26][CH2:27][CH2:28][O:29][CH3:30])[cH:25]4)[n:15][c:16]12)(=[O:31])=[O:32].[N:33]1([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1>>[c:7]1([N:36]2[CH2:35][CH2:34][N:33]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:38][CH2:37]2)[cH:8][cH:9][cH:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][n:19][c:20]4[n:21]3[cH:22][cH:23][c:24]([O:26][CH2:27][CH2:28][O:29][CH3:30])[cH:25]4)[n:15][c:16]12

Participants

6

Reactant 5

HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 143452tert-Butyl piperazine-1-carboxylateHCID 866543412-(7-(2-Methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl trifluoromethane sulfonate

Product 1

HCID 67234014Tert-butyl 4-(2-(7-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-1d62d30b5d3248e7bc4dd54c60b6033d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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