4-Fluorophenylboronic acid → Benzyl 5-(2-cyanophenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate

HRID 315497Notes

Reaction equation

HRID 315497 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([C:11](=[O:12])[O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]([CH:9]=[O:10])[nH:6][c:7]1[I:8].[CH3:31][C:32]1([CH3:33])[CH2:34][O:35][B:36]([c:38]2[c:39]([C:40]#[N:41])[cH:42][cH:43][cH:44][cH:45]2)[O:37][CH2:46]1.[OH:21][B:22]([c:23]1[cH:24][cH:25][c:26]([F:27])[cH:28][cH:29]1)[OH:30]>>[CH2:1]([CH3:2])[c:3]1[c:4]([C:11](=[O:12])[O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]([CH:9]=[O:10])[nH:6][c:7]1-[c:38]1[c:39]([C:40]#[N:41])[cH:42][cH:43][cH:44][cH:45]1

Participants

4

Reactant 3

HCID 2856454-Fluorophenylboronic acidHCID 41980042-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrileHCID 11349592Benzyl 4-ethyl-2-formyl-5-iodo-1H-pyrrole-3-carboxylate

Product 1

HCID 11245281Benzyl 5-(2-cyanophenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate

Sources & evidence

ORD record
ord-2d3f43f04eb84b099b0e09e0c936f444
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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