Water → 8-(3,6-Dihydro-2H-pyran-4-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

HRID 2153790Notes

Reaction equation

HRID 2153790 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:15][C:16]1([CH3:17])[CH2:18][O:19][B:20]([c:22]2[cH:23][c:24]3[c:25]([cH:42][cH:43]2)-[c:26]2[n:27][c:28](-[c:34]4[n:35]([CH:39]([CH3:40])[CH3:41])[n:36][cH:37][n:38]4)[cH:29][n:30]2[CH2:31][CH2:32][O:33]3)[O:21][CH2:44]1.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:57][CH2:58][Cl:59].[Cs+:49].[Cs+:50].[O:1]1[CH2:2][CH2:3][C:4]([O:7][S:8]([C:9]([F:10])([F:11])[F:12])(=[O:13])=[O:14])=[CH:5][CH2:6]1.[OH2:60]>>[O:1]1[CH2:2][CH2:3][C:4]([c:22]2[cH:23][c:24]3[c:25]([cH:42][cH:43]2)-[c:26]2[n:27][c:28](-[c:34]4[n:35]([CH:39]([CH3:40])[CH3:41])[n:36][cH:37][n:38]4)[cH:29][n:30]2[CH2:31][CH2:32][O:33]3)=[CH:5][CH2:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 113567033,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonateHCID 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 582046128-(3,6-Dihydro-2H-pyran-4-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Sources & evidence

ORD record
ord-c782db03c7cc497681c9eb69c10d14ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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