Sodium ion → HCID 25099693, compound

HRID 313711Notes

Reaction equation

HRID 313711 reaction equation
[C:58](=[O:59])([O-:60])[O-:61].[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[Cl:46][CH2:47][Cl:48].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1.[NH2:30][n:31]1[cH:32][c:33]([CH2:41][C:42]([CH3:43])([OH:44])[CH3:45])[c:34]2[cH:35][c:36]([F:40])[cH:37][cH:38][c:39]12.[Na+:62].[Na+:63].[O:18]=[CH:19][N:20]([CH3:21])[CH3:22]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:30][n:31]3[cH:32][c:33]([CH2:41][C:42]([CH3:43])([OH:44])[CH3:45])[c:34]4[cH:35][c:36]([F:40])[cH:37][cH:38][c:39]34)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 1140TolueneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 19660Carbonate IonHCID 617025872-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acidHCID 68555047HCID 68555047, compound

Product 1

HCID 25099693HCID 25099693, compound

Sources & evidence

ORD record
ord-3c1d0a1376bf42b58f4f4e839047dc6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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