Bicarbonate Ion → HCID 10454460, compound

HRID 1553649Notes

Reaction equation

HRID 1553649 reaction equation
[CH3:37][C:38]#[N:39].[Cl:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[c:23]([OH:31])[cH:24][c:25]([CH:28]([OH:29])[CH3:30])[cH:26][cH:27]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1.[Na+:36].[O-:32][C:33]([OH:34])=[O:35]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:18][CH2:19][CH2:20][O:21][c:22]4[c:23]([OH:31])[cH:24][c:25]([CH:28]([OH:29])[CH3:30])[cH:26][cH:27]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 103989864-(3-Chloropropoxy)-3-hydroxy-alpha-methylbenzenemethanol

Product 1

HCID 10454460HCID 10454460, compound

Sources & evidence

ORD record
ord-20e725e9a04b46e98732708c83083705
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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