Acetic Acid → HCID 178480195, compound

HRID 89914Notes

Reaction equation

HRID 89914 reaction equation
[C:42]([OH:43])(=[O:44])[CH3:45].[CH3:52][OH:53].[F:1][c:2]1[cH:3][c:4]([C:9]2([CH3:41])[N:10]([CH2:18][c:19]3[cH:20][n:21][c:22]4[cH:23][c:24]5[c:25]([cH:26][c:27]4[cH:28]3)[CH2:29][C:30]3([CH2:31]5)[C:32](=[O:40])[NH:33][c:34]4[n:35][cH:36][cH:37][cH:38][c:39]43)[C:11](=[O:17])[C:12]([CH3:15])([CH3:16])[NH:13][CH2:14]2)[cH:5][c:6]([F:8])[cH:7]1.[NH2:48][CH2:49][CH2:50][NH2:51].[Na+:47].[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[OH-:46]>>[F:1][c:2]1[cH:3][c:4]([C:9]2([CH3:41])[N:10]([CH2:18][c:19]3[cH:20][n:21][c:22]4[cH:23][c:24]5[c:25]([cH:26][c:27]4[cH:28]3)[CH2:29][C:30]3([CH2:31]5)[C:32](=[O:40])[NH:33][c:34]4[n:35][cH:36][cH:37][cH:38][c:39]43)[C:11](=[O:17])[C:12]([CH3:15])([CH3:16])[N:13]([CH3:42])[CH2:14]2)[cH:5][c:6]([F:8])[cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 3301EthylenediamineHCID 75163837HCID 75163837, compound

Product 1

HCID 178480195HCID 178480195, compound

Sources & evidence

ORD record
ord-16af10009ba1493e833ba2cdbeb45673
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…