Sodium ion → N-[4-Methyl-3-(3-methyl-1,2-benzisoxazol-6-yl)phenyl]-2-pyrrolidin-1-ylisonicotinamide

HRID 304409Notes

Reaction equation

HRID 304409 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH3:9])[n:7][o:8]2)[cH:10][cH:11]1.[CH3:12][c:13]1[c:14]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:15][c:16]([NH:19][C:20]([c:21]2[cH:22][c:23]([N:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)[n:24][cH:25][cH:26]2)=[O:32])[cH:17][cH:18]1.[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47]>>[c:2]1(-[c:14]2[c:13]([CH3:12])[cH:18][cH:17][c:16]([NH:19][C:20]([c:21]3[cH:22][c:23]([N:27]4[CH2:28][CH2:29][CH2:30][CH2:31]4)[n:24][cH:25][cH:26]3)=[O:32])[cH:15]2)[cH:3][c:4]2[c:5]([c:6]([CH3:9])[n:7][o:8]2)[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 11258289N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-yl-isonicotinamideHCID 124113226-Bromo-3-methyl-1,2-benzoxazole

Product 1

HCID 10364356N-[4-Methyl-3-(3-methyl-1,2-benzisoxazol-6-yl)phenyl]-2-pyrrolidin-1-ylisonicotinamide

Sources & evidence

ORD record
ord-998caf015d0e41d8b3a674ba17cc49aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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