Acetic Acid → HCID 11962990, compound

HRID 1548242Notes

Reaction equation

HRID 1548242 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:39][C:40](=[O:41])[OH:42].[OH2:48].[OH:1][CH:2]1[CH:3]=[C:4]([c:8]2[cH:9][c:10]([N:16]([CH:17]3[CH2:18][CH2:19][CH:20]([O:23][CH:24]4[CH2:25][CH2:26][CH2:27][CH2:28][O:29]4)[CH2:21][CH2:22]3)[C:30](=[O:31])[CH:32]3[CH2:33][CH2:34][CH:35]([CH3:38])[CH2:36][CH2:37]3)[c:11]([C:13](=[O:14])[OH:15])[s:12]2)[CH2:5][CH2:6][CH2:7]1>>[OH:1][CH:2]1[CH:3]=[C:4]([c:8]2[cH:9][c:10]([N:16]([CH:17]3[CH2:18][CH2:19][CH:20]([OH:23])[CH2:21][CH2:22]3)[C:30](=[O:31])[CH:32]3[CH2:33][CH2:34][CH:35]([CH3:38])[CH2:36][CH2:37]3)[c:11]([C:13](=[O:14])[OH:15])[s:12]2)[CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 11963485HCID 11963485, compound

Product 1

HCID 11962990HCID 11962990, compound

Sources & evidence

ORD record
ord-1b6281d4aa854dacb2c72c8411a8be80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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