Acetic Acid → HCID 178471622, compound

HRID 94975Notes

Reaction equation

HRID 94975 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]3[c:8]([c:9]2[c:10](=[O:12])[nH:11]1)[cH:13][c:14]([CH:17]=[CH:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39][cH:40]1)[cH:15][cH:16]3.[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][CH2:46][OH:47]>>[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]3[c:8]([c:9]2[c:10](=[O:12])[nH:11]1)[cH:13][c:14]([CH2:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39][cH:40]1)[cH:15][cH:16]3

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 178471621HCID 178471621, compound

Product 1

HCID 178471622HCID 178471622, compound

Sources & evidence

ORD record
ord-89a04d7cb75c4c8fb86342d2fa5ee2ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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