Water → 1-(4-(2-(1-isopropyl-3-(methoxymethyl)-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol

HRID 298778Notes

Reaction equation

HRID 298778 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][cH:26]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:22]([CH3:23])[CH3:24])[n:16][c:17]([CH2:19][O:20][CH3:21])[n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2.[C:46](=[O:47])([O-:48])[O-:49].[CH3:27][C:28]([CH2:29][n:30]1[n:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1)([CH3:44])[OH:45].[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[Cs+:50].[Cs+:51].[OH2:58]>>[c:2]1(-[c:33]2[cH:32][n:31][n:30]([CH2:29][C:28]([CH3:27])([CH3:44])[OH:45])[cH:34]2)[cH:3][c:4]2[c:5]([cH:25][cH:26]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:22]([CH3:23])[CH3:24])[n:16][c:17]([CH2:19][O:20][CH3:21])[n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2

Participants

7

Reactant 6

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 582041312-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-olHCID 582043878-Bromo-2-(2-isopropyl-5-methoxymethyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Product 1

HCID 582043771-(4-(2-(1-isopropyl-3-(methoxymethyl)-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol

Sources & evidence

ORD record
ord-abade911f95f41c6b121e3524ac34228
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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