Water → 3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester

HRID 1240252Notes

Reaction equation

HRID 1240252 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[N:44]1[CH:45]2[CH:46]=[C:47]([O:52][S:53]([C:54]([F:55])([F:56])[F:57])(=[O:58])=[O:59])[CH2:48][CH:49]1[CH2:50][CH2:51]2.[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)[cH:15][n:16]2[CH2:17][CH2:18][O:19]3)[O:7][CH2:30]1.[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[Cs+:35].[Cs+:36].[OH2:60]>>[c:8]1([C:47]2=[CH:46][CH:45]3[N:44]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH:49]([CH2:48]2)[CH2:50][CH2:51]3)[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)[cH:15][n:16]1[CH2:17][CH2:18][O:19]2

Participants

7

Reactant 6

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 226480948-Boc-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-3-eneHCID 582047108-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Product 1

HCID 582044623-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-ce478477176449b996b948ae38c6c41a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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