Sodium ion → 5-Benzyloxy-pyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid 1-tert-butyl ester

HRID 675314Notes

Reaction equation

HRID 675314 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH:25]=[O:26])[cH:10][c:11]2[c:12]1[n:13][cH:14][c:15]([O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[cH:16]2.[CH3:37][C:38]([OH:39])([CH3:40])[CH3:41].[CH3:42][C:43](=[CH:44][CH3:45])[CH3:46].[CH3:47][C:48]#[N:49].[Cl+:27]([O-:28])[O-:29].[Na+:30].[Na+:36].[OH2:50].[P:31]([O-:32])([OH:33])([OH:34])=[O:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([C:25](=[O:26])[OH:28])[cH:10][c:11]2[c:12]1[n:13][cH:14][c:15]([O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[cH:16]2

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6342AcetonitrileHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 866129335-Benzyloxy-2-formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester

Product 1

HCID 684251515-Benzyloxy-pyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid 1-tert-butyl ester

Sources & evidence

ORD record
ord-b86c2bc0c6d44b86a6c4fe16c561854f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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