Dimethyl Sulfoxide → (2-(1-(2,4-difluorophenyl)-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)methanamine

HRID 158393

Reaction equation

HRID 158393 reaction equation
[AlH4-:32].[CH3:33][S:34]([CH3:35])=[O:36].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:30])[n:12][c:13]2-[c:14]2[cH:15][n:16]3[c:22]([n:23]2)-[c:21]2[c:20]([cH:27][c:26]([C:28]#[N:29])[cH:25][cH:24]2)[O:19][CH2:18][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Li+:31].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:30])[n:12][c:13]2-[c:14]2[cH:15][n:16]3[c:22]([n:23]2)-[c:21]2[c:20]([cH:27][c:26]([CH2:28][NH2:29])[cH:25][cH:24]2)[O:19][CH2:18][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 8028TetrahydrofuranHCID 10879Aluminate(1-), tetrahydro-, (T-4)-HCID 28486Lithium ionHCID 582043352-[2-(2,4-difluoro-phenyl)-5-methyl-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene-8-carbonitrile

Product 1

HCID 58204437(2-(1-(2,4-difluorophenyl)-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)methanamine

Sources & evidence

ORD record
ord-acc0aca3b17d42d985d1af3ef794a07e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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