Acetic Acid → HCID 24829959, compound

HRID 696177Notes

Reaction equation

HRID 696177 reaction equation
[C:37]([O-:38])(=[O:39])[OH:40].[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[s:9][c:10]([NH:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][C:18]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)([OH:31])[CH2:19][CH2:20]1)[n:11]2.[CH3:42][C:43]#[N:44].[CH3:45][C:46](=[O:47])[OH:48].[Na+:41].[OH2:49].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[s:9][c:10]([NH:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][C:18]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)([NH:44][C:43](=[O:38])[CH3:42])[CH2:19][CH2:20]1)[n:11]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 6342AcetonitrileHCID 24829619HCID 24829619, compound

Product 1

HCID 24829959HCID 24829959, compound

Sources & evidence

ORD record
ord-a98a8dcb68604d828baba2dceaf412c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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