Bromide ion → Tert-butyl 5-formyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-propan-2-ylpyrrolidine-1-carboxylate

HRID 662678Notes

Reaction equation

HRID 662678 reaction equation
[Br-:49].[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([c:29]2[cH:30][c:31]([O:37][CH2:38][CH2:39][CH2:40][O:41][CH3:42])[c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH:21]([CH:26]([CH3:27])[CH3:28])[CH2:22][CH:23]1[CH2:24][OH:25].[CH3:1][C:2]1([CH3:11])[N:3]([O:4])[C:5]([CH3:6])([CH3:7])[CH2:8][CH2:9][CH2:10]1.[Cl:50][O-:51].[Cl:59][CH2:60][Cl:61].[K+:48].[Na+:43].[Na+:52].[Na+:57].[Na+:58].[OH2:62].[OH:44][C:45](=[O:46])[O-:47].[S:53]([O-:54])([O-:55])=[O:56]>>[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([c:29]2[cH:30][c:31]([O:37][CH2:38][CH2:39][CH2:40][O:41][CH3:42])[c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH:21]([CH:26]([CH3:27])[CH3:28])[CH2:22][CH:23]1[CH:24]=[O:25]

Participants

11

Reactant 10

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion4×HCID 962WaterHCID 1099SulfiteHCID 6344DichloromethaneHCID 61739HypochloriteHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 73173791Tert-butyl 5-(hydroxymethyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-propan-2-ylpyrrolidine-1-carboxylate

Product 1

HCID 73173825Tert-butyl 5-formyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-propan-2-ylpyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-5cb72b20f8e24d089f16bce4deee1378
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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