Acetonitrile → Toluene-4-sulfonic acid 1-(4-bromo-phenyl)-3-cyclopropyl-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidin-5-yl ester

HRID 164083Notes

Reaction equation

HRID 164083 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:26])[n:10]([CH:23]3[CH2:24][CH2:25]3)[c:11](=[O:22])[c:12]3[c:13]2[n:14]([CH3:21])[c:15](=[O:20])[c:16]([CH3:19])[c:17]3[OH:18])[cH:6][cH:7]1.[CH3:27][C:28]#[N:29].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[S:30](=[O:31])(=[O:32])([c:33]1[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]1)[Cl:40]>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:26])[n:10]([CH:23]3[CH2:24][CH2:25]3)[c:11](=[O:22])[c:12]3[c:13]2[n:14]([CH3:21])[c:15](=[O:20])[c:16]([CH3:19])[c:17]3[O:18][S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 597170641-(4-bromo-phenyl)-3-cyclopropyl-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

Product 1

HCID 59717126Toluene-4-sulfonic acid 1-(4-bromo-phenyl)-3-cyclopropyl-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidin-5-yl ester

Sources & evidence

ORD record
ord-9ec62f513d2c4a47af22ba741649c027
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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