Sodium ion → Tert-butyl 3-[(2-chloro-5-phenylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

HRID 1126371Notes

Reaction equation

HRID 1126371 reaction equation
[Br:1][c:2]1[c:3]([NH:9][CH:10]2[CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[n:4][c:5]([Cl:8])[n:6][cH:7]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[Na+:35].[Na+:36].[OH2:37].[OH:22][B:23]([OH:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:3]([NH:9][CH:10]2[CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[n:4][c:5]([Cl:8])[n:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 24903521Tert-butyl 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

Product 1

HCID 76775479Tert-butyl 3-[(2-chloro-5-phenylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-eeb6986fed3d45f5be194f121c1fb582
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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