Acetic Acid → HCID 57777270, compound

HRID 1117861Notes

Reaction equation

HRID 1117861 reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([O:12][CH:13]2[CH2:14][CH2:15][c:16]3[c:17]([cH:21][cH:22][cH:23][cH:24]3)[NH:18][C:19]2=[O:20])[cH:25][cH:26][c:27]1[N:28]1[S:29](=[O:34])(=[O:35])[NH:30][C:31](=[O:33])[CH2:32]1.[CH3:36][CH2:37][OH:38]>>[OH:8][c:9]1[cH:10][c:11]([O:12][CH:13]2[CH2:14][CH2:15][c:16]3[c:17]([cH:21][cH:22][cH:23][cH:24]3)[NH:18][C:19]2=[O:20])[cH:25][cH:26][c:27]1[N:28]1[S:29](=[O:34])(=[O:35])[NH:30][C:31](=[O:33])[CH2:32]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 68843315HCID 68843315, compound

Product 1

HCID 57777270HCID 57777270, compound

Sources & evidence

ORD record
ord-765c01ef93fa4754943dd23a8893c3de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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