Acetic Acid → HCID 72411031, compound

HRID 2146635Notes

Reaction equation

HRID 2146635 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[N:12]1[CH2:13][CH:14]([O:19][C:20]([CH3:21])=[O:22])[CH:15]([CH2:17][NH2:18])[CH2:16]1.[Cl:23][c:24]1[cH:25][cH:26][c:27]([C:29](=[O:30])[OH:31])[s:28]1>>[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[N:12]1[CH2:13][CH:14]([O:19][C:20]([CH3:21])=[O:22])[CH:15]([CH2:17][NH:18][C:29]([c:27]2[cH:26][cH:25][c:24]([Cl:23])[s:28]2)=[O:30])[CH2:16]1

Participants

4

Sources & evidence

ORD record
ord-6960929d268048ce8b11e3470d446e4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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