Sodium ion → HCID 68602450, compound

HRID 206695Notes

Reaction equation

HRID 206695 reaction equation
[C:47]([NH:48][NH2:49])(=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55].[C:66](=[O:67])([O-:68])[O-:69].[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[Cl:12][c:13]1[c:14](-[c:35]2[cH:36][n:37][c:38]([C:43]([F:44])([F:45])[F:46])[cH:39][c:40]2[C:41]#[N:42])[cH:15][c:16]([C:17](=[O:18])[N:19]([c:20]2[c:21]([O:22][CH2:23][CH2:24][C:25](=[O:26])[OH:27])[cH:28][cH:29][cH:30][cH:31]2)[CH3:32])[cH:33][cH:34]1.[Cl:77][CH2:78][Cl:79].[Na+:70].[Na+:71].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1>>[Cl:12][c:13]1[c:14](-[c:35]2[cH:36][n:37][c:38]([C:43]([F:44])([F:45])[F:46])[cH:39][c:40]2[C:41]#[N:42])[cH:15][c:16]([C:17](=[O:18])[N:19]([c:20]2[c:21]([O:22][CH2:23][CH2:24][C:25](=[O:26])[NH:49][NH:48][C:47](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:28][cH:29][cH:30][cH:31]2)[CH3:32])[cH:33][cH:34]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19660Carbonate IonHCID 70091tert-Butyl carbazateHCID 757711-HydroxybenzotriazoleHCID 251587413-(2-{[4-Chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid

Product 1

HCID 68602450HCID 68602450, compound

Sources & evidence

ORD record
ord-ab97e73f25cf4e88ae397b3836abf6ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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