Acetic Acid → HCID 24991199, compound

HRID 2134954Notes

Reaction equation

HRID 2134954 reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[Cl:39][CH:40]([Cl:41])[CH3:42].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]1.[NH2:1][CH2:2][c:3]1[c:4]2[cH:5][cH:6][c:7]([NH:13][CH2:14][c:15]3[o:16][c:17]([CH3:20])[cH:18][cH:19]3)[n:8][c:9]2[cH:10][cH:11][cH:12]1.[Na+:38].[O-:34][C:35]([OH:36])=[O:37]>>[NH:1]([CH2:2][c:3]1[c:4]2[cH:5][cH:6][c:7]([NH:13][CH2:14][c:15]3[o:16][c:17]([CH3:20])[cH:18][cH:19]3)[n:8][c:9]2[cH:10][cH:11][cH:12]1)[CH2:26][c:25]1[cH:24][cH:23][c:22]([F:21])[cH:29][cH:28]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 680234-FluorobenzaldehydeHCID 68437142HCID 68437142, compound

Product 1

HCID 24991199HCID 24991199, compound

Sources & evidence

ORD record
ord-d347a70443d6479fa07ca24d04d2ffcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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