Acetic Acid → HCID 178426872, compound

HRID 1153257Notes

Reaction equation

HRID 1153257 reaction equation
[C:56]([OH:57])(=[O:58])[CH3:59].[CH3:53][C:54]#[N:55].[CH3:8][c:9]1[c:10]([O:11][CH2:12][CH:13]([CH2:14][NH:15][c:16]2[c:17](-[c:23]3[n:24][c:25]4[cH:26][c:27]5[c:31]([cH:32][c:33]4[nH:34]3)[C:30](=[O:35])[N:29]([CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[CH2:28]5)[c:18](=[O:22])[nH:19][cH:20][cH:21]2)[OH:42])[cH:43][cH:44][c:45]([CH3:47])[cH:46]1.[CH:48]1([CH:51]=[O:52])[CH2:49][CH2:50]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:60]>>[CH3:8][c:9]1[c:10]([O:11][CH2:12][CH:13]([CH2:14][NH:15][c:16]2[c:17](-[c:23]3[n:24][c:25]4[cH:26][c:27]5[c:31]([cH:32][c:33]4[nH:34]3)[C:30](=[O:35])[N:29]([CH:36]3[CH2:37][CH2:38][N:39]([CH2:51][CH:48]4[CH2:49][CH2:50]4)[CH2:40][CH2:41]3)[CH2:28]5)[c:18](=[O:22])[nH:19][cH:20][cH:21]2)[OH:42])[cH:43][cH:44][c:45]([CH3:47])[cH:46]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 123114CyclopropanecarboxaldehydeHCID 178426871HCID 178426871, compound

Product 1

HCID 178426872HCID 178426872, compound

Sources & evidence

ORD record
ord-67ce348639a8433883bd54ce78183bc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…