Pyridoxal → 3-(3-Hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-yl)-acrylic acid ethyl ester

HRID 683322

Reaction equation

HRID 683322 reaction equation
[C:1](=[O:2])([O:3][CH2:4][CH3:5])[CH:6]=[P:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH:26](=[O:27])[c:28]1[c:29]([CH2:30][OH:31])[cH:32][n:33][c:34]([CH3:35])[c:36]1[OH:37]>>[C:1](=[O:2])([O:3][CH2:4][CH3:5])[CH:6]=[CH:26][c:28]1[c:29]([CH2:30][OH:31])[cH:32][n:33][c:34]([CH3:35])[c:36]1[OH:37]

Participants

5

Reactant 4

HCID 1050PyridoxalHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 70670Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester

Product 1

HCID 543009153-(3-Hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-yl)-acrylic acid ethyl ester

Sources & evidence

ORD record
ord-77b9ed703004479f92fc42d80671b838
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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