Ammonia → 9-(1H-imidazol-1-yl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

HRID 208050Notes

Reaction equation

HRID 208050 reaction equation
[CH3:30][OH:31].[NH3:32].[Na:29].[n:1]1(-[c:6]2[cH:7][c:8]3[c:9]([cH:27][cH:28]2)[O:10][CH2:11][CH2:12][N:13]([S:17]([c:18]2[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]2)(=[O:25])=[O:26])[CH2:14][CH2:15][O:16]3)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][c:8]3[c:9]([cH:27][cH:28]2)[O:10][CH2:11][CH2:12][NH:13][CH2:14][CH2:15][O:16]3)[cH:2][n:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 222AmmoniaHCID 887MethanolHCID 5360545SodiumHCID 148563589-(1H-Imidazol-1-yl)-4-[(4-methylphenyl)sulfonyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

Product 1

HCID 148563649-(1H-imidazol-1-yl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

Sources & evidence

ORD record
ord-15942ef23cac4c5fb806452bd8b5b3b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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