Acetic Acid → HCID 21393685, compound

HRID 667311Notes

Reaction equation

HRID 667311 reaction equation
[CH2:22]([NH2:23])[c:24]1[o:25][cH:26][cH:27][cH:28]1.[CH2:29]([c:30]1[o:31][cH:32][cH:33][cH:34]1)[NH:35][c:36]1[c:37]([S:52](=[O:53])(=[O:54])[NH2:55])[cH:38][c:39]([S:48](=[O:49])(=[O:50])[NH2:51])[c:40](-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:41]1.[CH3:64][C:65](=[O:66])[OH:67].[F:1][c:2]1[cH:3][c:4](-[c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[c:11]([S:12]([NH2:13])(=[O:14])=[O:15])[cH:16][c:17]1[S:18]([NH2:19])(=[O:20])=[O:21].[OH2:63].[OH:56][C:57]([C:58]([F:59])([F:60])[F:61])=[O:62]>>[NH2:35][c:36]1[c:37]([S:52](=[O:53])(=[O:54])[NH2:55])[cH:38][c:39]([S:48](=[O:49])(=[O:50])[NH2:51])[c:40](-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:41]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 3438FurfurylamineHCID 6422Trifluoroacetic acidHCID 21393680HCID 21393680, compoundHCID 21393687HCID 21393687, compound

Product 1

HCID 21393685HCID 21393685, compound

Sources & evidence

ORD record
ord-3142f94bc6b9412680987d7b7d9816aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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