Chloride → 4-hydroxy-4-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 2143356Notes

Reaction equation

HRID 2143356 reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[N:38]1[CH2:39][CH2:40][C:41](=[O:44])[CH2:42][CH2:43]1.[CH3:1][C:2]1([CH3:3])[CH2:4][O:5][B:6]([c:8]2[cH:9][c:10]3[c:11]([cH:28][cH:29]2)-[c:12]2[n:13][c:14](-[c:20]4[n:21]([CH:25]([CH3:26])[CH3:27])[n:22][cH:23][n:24]4)[s:15][c:16]2[CH2:17][CH2:18][O:19]3)[O:7][CH2:30]1.[CH:46]([c:47]1[cH:48][cH:49][cH:50][c:51]([CH:52]([CH3:53])[CH3:54])[c:55]1-[n+:56]1[cH:57][cH:58][n:59](-[c:60]2[c:61]([CH:62]([CH3:63])[CH3:64])[cH:65][cH:66][cH:67][c:68]2[CH:69]([CH3:70])[CH3:71])[cH:72]1)([CH3:73])[CH3:74].[Cl-:45].[Cs+:76].[F-:75]>>[c:8]1([C:41]2([OH:44])[CH2:40][CH2:39][N:38]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])[CH2:43][CH2:42]2)[cH:9][c:10]2[c:11]([cH:28][cH:29]1)-[c:12]1[n:13][c:14](-[c:20]3[n:21]([CH:25]([CH3:26])[CH3:27])[n:22][cH:23][n:24]3)[s:15][c:16]1[CH2:17][CH2:18][O:19]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 28179Fluoride IonHCID 104967Cesium cationHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 27349141,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-iumHCID 582039448-(5,5-Dimethyl-[1,3,2]dioxaborinan-2-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

Product 1

HCID 582038674-hydroxy-4-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-a54fc692118c4da29dd124993ab302c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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