Bicarbonate Ion → HCID 66699556, compound

HRID 86006Notes

Reaction equation

HRID 86006 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:31])[c:6]([CH2:28][CH2:29][CH3:30])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([c:17]3[cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24]3)[OH:25])[cH:14][cH:15]2)[cH:26][cH:27]1.[C:35](=[O:36])([OH:37])[O-:38].[Cl:32][CH2:33][Cl:34].[Na+:39]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:31])[c:6]([CH2:28][CH2:29][CH3:30])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([C:16]([c:17]3[cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24]3)=[O:25])[cH:14][cH:15]2)[cH:26][cH:27]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 666995493-{[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-hydroxy-methyl}-benzonitrile

Product 1

HCID 66699556HCID 66699556, compound

Sources & evidence

ORD record
ord-80ac4a7653984912b5e9ad3f4d525ddc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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