Bicarbonate Ion → HCID 12004133, compound

HRID 1213000Notes

Reaction equation

HRID 1213000 reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH3:33][C:34]#[N:35].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[Cl:18])[CH2:10][CH2:11]2.[F:19][C:20]([O:21][c:22]1[cH:23][cH:24][c:25]([NH2:26])[cH:27][cH:28]1)([F:29])[F:30].[I-:32].[Na+:31].[Na+:40]>>[c:2]1([NH:26][c:25]2[cH:24][cH:23][c:22]([O:21][C:20]([F:19])([F:29])[F:30])[cH:28][cH:27]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[Cl:18])[CH2:10][CH2:11]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 30165Iodide IonHCID 6008484-(Trifluoromethoxy)anilineHCID 590214784-Chloro-7-(3-chloropyridin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Product 1

HCID 12004133HCID 12004133, compound

Sources & evidence

ORD record
ord-a8211272120f488bb7c2b176981d95c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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