Acetic Acid → HCID 59542546, compound

HRID 2336385Notes

Reaction equation

HRID 2336385 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[Cl:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[N:9]1([C:16](=[O:17])[c:18]2[cH:19][s:20][c:21]([CH:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:22]2)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[OH2:33]>>[Cl:1][c:19]1[c:18]([C:16]([N:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]2)=[O:17])[cH:22][c:21]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[s:20]1

Participants

5

Sources & evidence

ORD record
ord-1081c6329bd042c1b1867d4dd599de57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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