Dimethyl Sulfoxide → 8-{[2-Methyl-7,8-dihydro[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl]methyl}-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

HRID 98253Notes

Reaction equation

HRID 98253 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:17][cH:18][c:19]4[n:20][c:21]([CH3:24])[o:22][c:23]34)[O:25][CH2:26]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[c:27]1([C:33]2([OH:41])[CH2:34][CH:35]3[CH2:36][CH2:37][CH:38]([CH2:39]2)[NH:40]3)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH2:12]([CH:13]1[O:14][c:15]2[c:16]([cH:17][cH:18][c:19]3[n:20][c:21]([CH3:24])[o:22][c:23]23)[O:25][CH2:26]1)[N:40]1[CH:35]2[CH2:34][C:33]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)([OH:41])[CH2:39][CH:38]1[CH2:37][CH2:36]2

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 11268854[2-Methyl-7,8-dihydro[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl]methyl 4-methylbenzenesulfonateHCID 130912463-Phenyl-8-azabicyclo[3.2.1]octan-3-ol

Product 1

HCID 102013708-{[2-Methyl-7,8-dihydro[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl]methyl}-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

Sources & evidence

ORD record
ord-5795eed65a604afab8b67ede5c878d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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