Toluene → HCID 70049097, compound

HRID 1240357Notes

Reaction equation

HRID 1240357 reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH3:23])=[C:4]([CH3:24])[NH:3]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[n:25]1([CH:30]([CH3:31])[c:32]2[cH:33][cH:34][c:35]([CH:38]=[CH:39][CH2:40][OH:41])[cH:36][cH:37]2)[cH:26][n:27][cH:28][cH:29]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:40][CH:39]=[CH:38][c:35]2[cH:34][cH:33][c:32]([CH:30]([n:25]3[cH:26][n:27][cH:28][cH:29]3)[CH3:31])[cH:37][cH:36]2)[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH3:23])=[C:4]([CH3:24])[NH:3]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 10868DicyclohexylcarbodiimideHCID 1733222,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl esterHCID 67842720HCID 67842720, compound

Product 1

HCID 70049097HCID 70049097, compound

Sources & evidence

ORD record
ord-c62899d46f3e42b5b95ea7b70f22987f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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