Bicarbonate Ion → HCID 68487554, compound

HRID 1229959Notes

Reaction equation

HRID 1229959 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH3:1][C:2]([N:5]([C:3](=[O:4])[O-:6])[CH2:9][c:10]1[c:11]([F:29])[c:12]([O:17][c:18]2[cH:19][c:20]([C:27]#[N:28])[cH:21][c:22]([CH:24]3[CH2:25][CH2:26]3)[cH:23]2)[c:13]([Cl:16])[cH:14][cH:15]1)([CH3:7])[CH3:8].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:42][CH2:43][Cl:44].[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[Na+:41]>>[NH2:5][CH2:9][c:10]1[c:11]([F:29])[c:12]([O:17][c:18]2[cH:19][c:20]([C:27]#[N:28])[cH:21][c:22]([CH:24]3[CH2:25][CH2:26]3)[cH:23]2)[c:13]([Cl:16])[cH:14][cH:15]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 86761654HCID 86761654, compound

Product 1

HCID 68487554HCID 68487554, compound

Sources & evidence

ORD record
ord-c18ff85cd98e4bad89f86d0362ad67db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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