Toluene → HCID 21650183, compound

HRID 201068Notes

Reaction equation

HRID 201068 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.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:41]1([N:42]=[C:43]=[N:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[nH:25]1[c:26]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37]#[C:38][CH2:39][OH:40])[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][CH2:39][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 70047405HCID 70047405, compound

Product 1

HCID 21650183HCID 21650183, compound

Sources & evidence

ORD record
ord-740fcd8183e04248a5de3999284ae260
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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