Bicarbonate Ion → N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-2-chloro-3-(1-cyano-1-methylethyl)benzamide

HRID 1540637Notes

Reaction equation

HRID 1540637 reaction equation
[C:62](=[O:63])([O-:64])[OH:65].[Cl:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31][c:32]1[C:33]([CH3:34])([CH3:35])[C:36]#[N:37].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:22])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]3[c:13]([n:14]2)[s:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[n:17]3)[cH:7]1.[Na+:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[cH:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:22])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]3[c:13]([n:14]2)[s:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[n:17]3)[cH:7]1)[C:26]([c:25]1[c:24]([Cl:23])[c:32]([C:33]([CH3:34])([CH3:35])[C:36]#[N:37])[cH:31][cH:30][cH:29]1)=[O:27]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668102752-Chloro-3-(1-cyano-1-methylethyl)benzoic acidHCID 86646095N-{5-[(5-amino-2-methylphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-2-yl}acetamide

Product 1

HCID 25206347N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-2-chloro-3-(1-cyano-1-methylethyl)benzamide

Sources & evidence

ORD record
ord-6eb89887fc46496aafc3acfff13799b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…