Acetic Acid → HCID 22239899, compound

HRID 1217840Notes

Reaction equation

HRID 1217840 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[F:1][c:2]1[c:3]([S:8][CH2:9][CH:10]2[O:11][CH:12]([n:20]3[c:21]4[n:22][cH:23][n:24][c:25]([NH:29][CH:30]5[CH2:31][CH2:32][CH2:33][CH2:34]5)[c:26]4[n:27][cH:28]3)[CH:13]3[O:14][C:15]([CH3:18])([CH3:19])[O:16][CH:17]23)[cH:4][cH:5][cH:6][cH:7]1.[OH2:39]>>[F:1][c:2]1[c:3]([S:8][CH2:9][CH:10]2[O:11][CH:12]([n:20]3[c:21]4[n:22][cH:23][n:24][c:25]([NH:29][CH:30]5[CH2:31][CH2:32][CH2:33][CH2:34]5)[c:26]4[n:27][cH:28]3)[CH:13]([OH:14])[CH:17]2[OH:16])[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 22239902HCID 22239902, compound

Product 1

HCID 22239899HCID 22239899, compound

Sources & evidence

ORD record
ord-7ef0b550326341afaf1cc263f57b67ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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