Dimethyl Sulfoxide → 1-(4-(3-(hydroxymethyl)phenylamino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone

HRID 159199Notes

Reaction equation

HRID 159199 reaction equation
[CH3:43][S:44]([CH3:45])=[O:46].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]2[c:9]([n:10][c:11]([NH:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[cH:21][n:22][cH:23][o:24]4)[cH:18][cH:19]3)[n:12]1)[CH2:25][CH2:26][N:27]([C:29]([CH3:30])=[O:31])[CH2:28]2)(=[O:32])=[O:33].[NH2:34][c:35]1[cH:36][c:37]([CH2:41][OH:42])[cH:38][cH:39][cH:40]1>>[c:7]1([NH:34][c:35]2[cH:36][c:37]([CH2:41][OH:42])[cH:38][cH:39][cH:40]2)[c:8]2[c:9]([n:10][c:11]([NH:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[cH:21][n:22][cH:23][o:24]4)[cH:18][cH:19]3)[n:12]1)[CH2:25][CH2:26][N:27]([C:29]([CH3:30])=[O:31])[CH2:28]2

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 802933-Aminobenzyl alcoholHCID 593337606-Acetyl-2-(4-(oxazol-5-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl trifluoromethanesulfonate

Product 1

HCID 462008381-(4-(3-(hydroxymethyl)phenylamino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone

Sources & evidence

ORD record
ord-bfd10aed2737423b97edd68f88887ec6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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