Acetic Acid → HCID 67266259, compound

HRID 192789Notes

Reaction equation

HRID 192789 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:45][C:46](=[O:47])[OH:48].[O:1]1[c:2]2[c:3]([cH:7][c:8]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][CH:16]([c:27]4[n:28][c:29]5[c:30]([n:31]4[CH2:32][CH2:33][O:34][CH:35]4[CH2:36][CH2:37][CH2:38][CH2:39][O:40]4)[cH:41][cH:42][cH:43][cH:44]5)[N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[cH:9][cH:10]2)[O:4][CH2:5][CH2:6]1.[OH2:54]>>[O:1]1[c:2]2[c:3]([cH:7][c:8]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][CH:16]([c:27]4[n:28][c:29]5[c:30]([n:31]4[CH2:32][CH2:33][OH:34])[cH:41][cH:42][cH:43][cH:44]5)[N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[cH:9][cH:10]2)[O:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 67266311HCID 67266311, compound

Product 1

HCID 67266259HCID 67266259, compound

Sources & evidence

ORD record
ord-15dec8fe79c843df99ef5933cd0a8942
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…