Acetic Acid → HCID 178427081, compound

HRID 1236489Notes

Reaction equation

HRID 1236489 reaction equation
[C:1]([O:2][C:3](=[O:4])[n:8]1[c:9]([CH:18]([CH2:19][CH2:20][C:21](=[O:22])[OH:23])[NH:24][C:25]([c:26]2[cH:27][c:28]([CH3:39])[c:29]([C:32](=[O:33])[N:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)[cH:30][cH:31]2)=[O:40])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([Cl:17])[cH:16]2)([CH3:5])([CH3:6])[CH3:7].[C:49]([OH:50])(=[O:51])[CH3:52].[C:56]([O:57][CH2:58][CH3:59])(=[O:60])[CH3:61].[CH2:53]([OH:54])[CH3:55].[Cl:48].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[nH:8]1[c:9]([CH:18]([CH2:19][CH2:20][C:21](=[O:22])[OH:23])[NH:24][C:25]([c:26]2[cH:27][c:28]([CH3:39])[c:29]([C:32](=[O:33])[N:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)[cH:30][cH:31]2)=[O:40])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([Cl:17])[cH:16]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 69309776HCID 69309776, compound

Product 1

HCID 178427081HCID 178427081, compound

Sources & evidence

ORD record
ord-8e50fcdddce04aaa9a60108e8217a015
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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