Dimethyl Sulfoxide → 2-(4-(2-(1-isopropyl-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-methylpropanoic acid

HRID 191762Notes

Reaction equation

HRID 191762 reaction equation
[CH3:38][S:39]([CH3:40])=[O:41].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:35]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20](-[c:22]2[cH:23][n:24][n:25]([C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])([CH3:33])[CH3:34])[cH:26]2)[cH:21]1.[Li+:36].[OH-:37].[OH2:42]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:35]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20](-[c:22]2[cH:23][n:24][n:25]([C:27]([C:28](=[O:29])[OH:30])([CH3:33])[CH3:34])[cH:26]2)[cH:21]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 961HydroxideHCID 962WaterHCID 28486Lithium ionHCID 58204918ethyl 2-(4-(2-(1-isopropyl-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-methylpropanoate

Product 1

HCID 582049132-(4-(2-(1-isopropyl-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-methylpropanoic acid

Sources & evidence

ORD record
ord-9be8edd93413494ea9caa80ab88a0a7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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