Acetic Acid → HCID 59599288, compound

HRID 2322395Notes

Reaction equation

HRID 2322395 reaction equation
[C:29]([OH:30])(=[O:31])[CH3:32].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][C:10]([OH:14])([c:15]2[cH:16][c:17]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:18][cH:19][cH:20]2)[CH2:11][CH2:12][CH2:13]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:25][CH2:26][C:27]#[N:28].[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][C:10]([c:15]2[cH:16][c:17]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:18][cH:19][cH:20]2)([NH:28][C:27]([CH2:26][Cl:25])=[O:31])[CH2:11][CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 1118Sulfuric AcidHCID 7856ChloroacetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 59599161HCID 59599161, compound

Product 1

HCID 59599288HCID 59599288, compound

Sources & evidence

ORD record
ord-d0058b710cfa4951bf5444ef95b9afcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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