Toluene → HCID 70062862, compound

HRID 1548275Notes

Reaction equation

HRID 1548275 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.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[n:25]1(-[c:30]2[cH:31][cH:32][c:33]([CH:36]=[CH:37][CH2:38][OH:39])[cH:34][cH:35]2)[cH:26][n:27][cH:28][cH:29]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:38][CH:37]=[CH:36][c:33]2[cH:32][cH:31][c:30](-[n:25]3[cH:26][n:27][cH:28][cH:29]3)[cH:35][cH:34]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 53734926HCID 53734926, compound

Product 1

HCID 70062862HCID 70062862, compound

Sources & evidence

ORD record
ord-97daf9a0ea234ecca9ccbe63d2d33922
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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