Acetic Acid → HCID 57429668, compound

HRID 107145Notes

Reaction equation

HRID 107145 reaction equation
[BrH:31].[C:36](=[O:37])([OH:38])[O-:39].[CH3:24][Si:25]([CH:26]=[N+:27]=[N-:28])([CH3:29])[CH3:30].[CH3:32][C:33](=[O:34])[OH:35].[CH3:44][C:45]#[N:46].[Cl:41][CH2:42][Cl:43].[Na+:40].[O:1]=[C:2]1[CH2:3][CH:4]([C:17](=[O:18])[OH:19])[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[S:20]([Cl:21])([Cl:22])=[O:23]>>[O:1]=[C:2]1[CH2:3][CH:4]([C:17](=[O:19])[CH2:24][Br:31])[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 167693TrimethylsilyldiazomethaneHCID 2775915HCID 2775915, compound

Product 1

HCID 57429668HCID 57429668, compound

Sources & evidence

ORD record
ord-c3b2fc601c4043c6bee767c67dd6a7b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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