Acetic Acid → HCID 178503511, compound

HRID 161791Notes

Reaction equation

HRID 161791 reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[N:1]1([c:5]2[c:6]([F:35])[c:7]([NH:13][NH:14][C:15]([CH:16]([CH2:17][N:18]([CH:19]=[O:20])[O:21][CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26][O:27]3)[CH2:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33]3)=[O:34])[n:8][c:9]([S:11][CH3:12])[n:10]2)[CH2:2][CH2:3][CH2:4]1.[OH2:40]>>[N:1]1([c:5]2[c:6]([F:35])[c:7]([NH:13][NH:14][C:15]([CH:16]([CH2:17][N:18]([CH:19]=[O:20])[OH:21])[CH2:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33]3)=[O:34])[n:8][c:9]([S:11][CH3:12])[n:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 178503509HCID 178503509, compound

Product 1

HCID 178503511HCID 178503511, compound

Sources & evidence

ORD record
ord-5e10c83f7c274012acff6d33e7a1f8e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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