Sodium ion → Ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylate

HRID 140013Notes

Reaction equation

HRID 140013 reaction equation
[Br:17][c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1.[C:27](=[O:28])([O-:29])[O-:30].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:16])[c:8]([CH2:14][CH3:15])[c:9]([C:12]#[N:13])[c:10]1[I:11].[CH2:39]([Cl:40])[Cl:41].[Na+:31].[Na+:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:42]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:16])[c:8]([CH2:14][CH3:15])[c:9]([C:12]#[N:13])[c:10]1-[c:21]1[cH:20][cH:19][c:18]([Br:17])[cH:23][cH:22]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 79599(4-Bromophenyl)boronic acidHCID 57975348HCID 57975348, compound

Product 1

HCID 16037629Ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylate

Sources & evidence

ORD record
ord-ca8d0cbbd8a94b38a8ce3c455f8407f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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