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

HRID 155605Notes

Reaction equation

HRID 155605 reaction equation
[CH3:28][C:29]#[N:30].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH:1]1([n:4]2[c:5](=[O:27])[n:6](-[c:18]3[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([OH:17])[cH:12][c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1.[S:31](=[O:32])(=[O:33])([c:34]1[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]1)[Cl:41]>>[CH:1]1([n:4]2[c:5](=[O:27])[n:6](-[c:18]3[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([O:17][S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]2)[cH:12][c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 597172003-cyclopropyl-5-hydroxy-8-methyl-1-(3-nitrophenyl)-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

Product 1

HCID 59717031Toluene-4-sulfonic acid 3-cyclopropyl-8-methyl-1-(3-nitrophenyl)-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidin-5-yl ester

Sources & evidence

ORD record
ord-6c241339506d4f34ba21c0c5aa9d216a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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