Dimethyl Sulfoxide → 2-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)benzamide

HRID 309943Notes

Reaction equation

HRID 309943 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2.[CH3:36][S:37]([CH3:38])=[O:39].[NH2:24][C:25](=[O:26])[c:27]1[c:28]([B:33]([OH:34])[OH:35])[cH:29][cH:30][cH:31][cH:32]1>>[c:2]1(-[c:28]2[c:27]([C:25]([NH2:24])=[O:26])[cH:32][cH:31][cH:30][cH:29]2)[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 2737809(2-Aminocarbonylphenyl)boronic acidHCID 582043138-bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Product 1

HCID 582049752-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)benzamide

Sources & evidence

ORD record
ord-d91e6350922240caa0e6063243cdd2df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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