Acetic Acid → HCID 72539383, compound

HRID 1146900Notes

Reaction equation

HRID 1146900 reaction equation
[C:34]([OH:35])(=[O:36])[CH3:37].[C:38]([OH:39])(=[O:40])[CH3:41].[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[c:11]([CH3:33])[c:12]([CH3:32])[c:13]([N:16]2[CH2:17][CH:18]([CH3:31])[N:19]([c:22]3[n:23][cH:24][c:25]([C:28]([CH3:29])=[O:30])[n:26][cH:27]3)[CH2:20][CH2:21]2)[n:14][n:15]1.[CH3:55][OH:56].[ClH:49].[I:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[K+:2].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[OH-:1].[OH2:57]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[c:11]([CH3:33])[c:12]([CH3:32])[c:13]([N:16]2[CH2:17][CH:18]([CH3:31])[N:19]([c:22]3[n:23][cH:24][c:25]([C:28]([CH2:29][OH:36])=[O:30])[n:26][cH:27]3)[CH2:20][CH2:21]2)[n:14][n:15]1

Participants

11

Reactant 10

HCID 176Acetic Acid2×HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 11575IodobenzeneHCID 75092142HCID 75092142, compound

Product 1

HCID 72539383HCID 72539383, compound

Sources & evidence

ORD record
ord-8e1fd08619fe42b584d96448473d0891
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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