Sodium ion → methyl 6-(1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl)-5-nitronicotinate

HRID 100524

Reaction equation

HRID 100524 reaction equation
[C:15](=[O:16])([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[n:22]1[c:23]([B:27]([OH:28])[OH:29])[cH:24][cH:25][cH:26]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]1[N+:12](=[O:13])[O-:14].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[c:2]1(-[c:23]2[n:22]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:26][cH:25][cH:24]2)[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]1[N+:12](=[O:13])[O-:14]

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 346961Methyl 6-chloro-5-nitronicotinateHCID 27343211-(tert-Butoxycarbonyl)-2-pyrroleboronic Acid

Product 1

HCID 66926258methyl 6-(1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl)-5-nitronicotinate

Sources & evidence

ORD record
ord-74afccdbba3d446f8397bb12640ac66c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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