Pyridine → 2-Butenedioic acid

HRID 1201679Notes

Reaction equation

HRID 1201679 reaction equation
[C:33]([CH:34]=[CH:35][C:36](=[O:37])[O-:38])(=[O:39])[O-:40].[CH3:28][S:29](=[O:30])(=[O:31])[Cl:32].[CH:47]([Cl:48])([Cl:49])[Cl:50].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH2:8][N:9]([CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11]2)[cH:25][cH:26][cH:27]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[C:33]([CH:34]=[CH:35][C:36](=[O:37])[OH:38])(=[O:39])[OH:40].[NH:1]([c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH2:8][N:9]([CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11]2)[cH:25][cH:26][cH:27]1)[S:29]([CH3:28])(=[O:30])=[O:31]

Participants

7

Reactant 5

HCID 1049PyridineHCID 6212ChloroformHCID 31297Methanesulfonyl chlorideHCID 164547ButenedioateHCID 13362832HCID 13362832, compound

Product 2

HCID 7232-Butenedioic acidHCID 13654028HCID 13654028, compound

Sources & evidence

ORD record
ord-40187fcbdbcf4913bee00d2fe95a2e24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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