Toluene → HCID 173355008, compound

HRID 168584Notes

Reaction equation

HRID 168584 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.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH:43]1([N:44]=[C:45]=[N:46][CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[nH:25]1[c:26]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37]#[C:38][CH:39]=[CH:40][CH2:41][OH:42])[cH:35][cH:36]2)[n:27][cH:28][cH:29]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:41][CH:40]=[CH:39][C:38]#[C:37][c:34]2[cH:33][cH:32][c:31]([CH2:30][c:26]3[n:25][cH:29][cH:28][nH:27]3)[cH:36][cH:35]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 173250241HCID 173250241, compound

Product 1

HCID 173355008HCID 173355008, compound

Sources & evidence

ORD record
ord-15b5cca2b6d347088032466004e1f29f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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