Acetic Acid → HCID 178421236, compound

HRID 173819Notes

Reaction equation

HRID 173819 reaction equation
[C:58]([OH:59])([CH3:60])([CH3:61])[CH3:62].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:44][C:45](=[CH:46][CH3:47])[CH3:48].[CH3:54][C:55](=[O:56])[OH:57].[Cl+:1]([O-:2])[O-:3].[F:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[CH:12]2[C:13]3([CH3:14])[CH:15]([CH2:16][CH2:17]2)[CH:18]2[CH2:19][CH:20]=[C:21]4[CH:22]=[C:23]([CH:31]=[O:32])[CH2:24][CH2:25][C:26]4([CH3:27])[CH:28]2[CH2:29][CH2:30]3)[cH:33][cH:34]1.[Na+:40].[Na+:41].[Na+:42].[Na+:4].[OH2:43].[P:35](=[O:36])([O-:37])([O-:38])[O-:39]>>[F:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[CH:12]2[C:13]3([CH3:14])[CH:15]([CH2:16][CH2:17]2)[CH:18]2[CH2:19][CH:20]=[C:21]4[CH:22]=[C:23]([C:31](=[O:32])[OH:36])[CH2:24][CH2:25][C:26]4([CH3:27])[CH:28]2[CH2:29][CH2:30]3)[cH:33][cH:34]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ion4×HCID 962WaterHCID 1061PhosphateHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 178421231HCID 178421231, compound

Product 1

HCID 178421236HCID 178421236, compound

Sources & evidence

ORD record
ord-8f2e0b32c05140caa044c611177d86bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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