Bicarbonate Ion → Benzyl 2-[[3-(3-cyanophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

HRID 1562660Notes

Reaction equation

HRID 1562660 reaction equation
[Br:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41][cH:42]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][c:18]2[cH:19][c:20]([B:24]3[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]3)[cH:21][cH:22][cH:23]2)=[O:33])[CH2:13][CH2:14][CH2:15]1.[CH3:48][OH:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][c:18]2[cH:19][c:20](-[c:35]3[cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41][cH:42]3)[cH:21][cH:22][cH:23]2)=[O:33])[CH2:13][CH2:14][CH2:15]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 233813-BromobenzonitrileHCID 69023528Benzyl 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Product 1

HCID 69023540Benzyl 2-[[3-(3-cyanophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-9d7793e3d56b4c3ba854db58dce06ba4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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