Bicarbonate Ion → HCID 59507053, compound

HRID 294705Notes

Reaction equation

HRID 294705 reaction equation
[C:68](=[O:69])([O-:70])[OH:71].[CH3:33][CH:34]([CH3:35])[c:36]1[cH:37][c:38]([C:41](=[O:42])[OH:43])[n:39][nH:40]1.[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([NH:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[n:7][cH:8][c:9]2[n:10]1.[Na+:72].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[cH:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1.[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([NH:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[n:7][cH:8][c:9]2[n:10]1)[C:41]([c:38]1[cH:37][c:36]([CH:34]([CH3:33])[CH3:35])[nH:40][n:39]1)=[O:42]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 9886HexafluorophosphateHCID 7764215-(propan-2-yl)-1H-pyrazole-3-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 86646090N-{3-[(2-amino[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]-4-methylphenyl}-3-(1-cyano-1-methylethyl)benzamide

Product 1

HCID 59507053HCID 59507053, compound

Sources & evidence

ORD record
ord-ce5801c1499f4829b1e96bdd2e4a5655
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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