Acetic Acid → HCID 58941462, compound

HRID 1544103Notes

Reaction equation

HRID 1544103 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[cH:3][c:4]([CH:31]([OH:32])[c:33]2[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]2)[c:5]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:22][CH2:23][O:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30]2)[cH:6][cH:7]1.[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4]([CH:31]([OH:32])[c:33]2[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]2)[c:5]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[CH2:22][CH2:23][OH:24])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 68567822HCID 68567822, compound

Product 1

HCID 58941462HCID 58941462, compound

Sources & evidence

ORD record
ord-ebdfb0a0a86d404f9504d1f6386080f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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