Acetic Acid → HCID 178471702, compound

HRID 190604Notes

Reaction equation

HRID 190604 reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][O:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[NH:15])[NH:16][S:17](=[O:18])(=[O:19])[c:20]2[c:21]([CH3:40])[c:22]([CH3:39])[c:23]([O:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][C:35]([Cl:36])([Cl:37])[Cl:38])[cH:24][c:25]2[CH3:26])[cH:41][cH:42]1.[OH2:43]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][O:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[NH:15])[NH:16][S:17](=[O:18])(=[O:19])[c:20]2[c:21]([CH3:40])[c:22]([CH3:39])[c:23]([O:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:24][c:25]2[CH3:26])[cH:41][cH:42]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 178471703HCID 178471703, compound

Product 1

HCID 178471702HCID 178471702, compound

Sources & evidence

ORD record
ord-4a77473b2e59433996aa8ee7152b7d83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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