Bicarbonate Ion → (RS)-5-chloro-pyridine-2-carboxylic acid [3-(3-cyclopropyl-5-thioxo-morpholin-3-yl)-4-fluoro-phenyl]-amide

HRID 2162809Notes

Reaction equation

HRID 2162809 reaction equation
[C:62](=[O:63])([O-:64])[OH:65].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[Cl:67][CH2:68][Cl:69].[NH2:44][c:45]1[cH:46][cH:47][c:48]([F:61])[c:49]([C:51]2([CH:58]3[CH2:59][CH2:60]3)[NH:52][C:53](=[S:57])[CH2:54][O:55][CH2:56]2)[cH:50]1.[Na+:66].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:10])[NH:44][c:45]2[cH:46][cH:47][c:48]([F:61])[c:49]([C:51]3([CH:58]4[CH2:59][CH2:60]4)[NH:52][C:53](=[S:57])[CH2:54][O:55][CH2:56]3)[cH:50]2)[n:6][cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27628725-Chloro-2-picolinic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58155241HCID 58155241, compound

Product 1

HCID 86651226(RS)-5-chloro-pyridine-2-carboxylic acid [3-(3-cyclopropyl-5-thioxo-morpholin-3-yl)-4-fluoro-phenyl]-amide

Sources & evidence

ORD record
ord-ef639e66be0b46b7ba183f62c0fe27aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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