Dimethyl Sulfoxide → 2-[Bis[(2-methylphenyl)methyl]amino]-3-(3,5-difluorophenyl)propanal

HRID 1553164Notes

Reaction equation

HRID 1553164 reaction equation
[CH3:1][c:2]1[c:3]([CH2:4][N:5]([CH:6]([CH2:7][OH:8])[CH2:9][c:10]2[cH:11][c:12]([F:17])[cH:13][c:14]([F:16])[cH:15]2)[CH2:18][c:19]2[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]2)[cH:26][cH:27][cH:28][cH:29]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:48][S:49]([CH3:50])=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[OH2:47].[S:43](=[O:44])(=[O:45])=[O:46].[n:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][c:2]1[c:3]([CH2:4][N:5]([CH:6]([CH:7]=[O:8])[CH2:9][c:10]2[cH:11][c:12]([F:17])[cH:13][c:14]([F:16])[cH:15]2)[CH2:18][c:19]2[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]2)[cH:26][cH:27][cH:28][cH:29]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 1049PyridineHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24682Sulfur trioxideHCID 69016618HCID 69016618, compound

Product 1

HCID 875859122-[Bis[(2-methylphenyl)methyl]amino]-3-(3,5-difluorophenyl)propanal

Sources & evidence

ORD record
ord-8f405ad617454067858a14fbd21c14cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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