Acetic Acid → 700874-74-4

HRID 191442Notes

Reaction equation

HRID 191442 reaction equation
[C:41]([OH:42])(=[O:43])[CH3:44].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:35].[n:1]1[c:2](-[c:7]2[c:8](-[c:15]3[cH:16][cH:17][n:18][c:19]4[cH:20][c:21]([O:25][CH2:26][CH2:27][O:28][CH:29]5[CH2:30][CH2:31][CH2:32][CH2:33][O:34]5)[cH:22][cH:23][c:24]34)[c:9]3[n:10]([n:11]2)[CH2:12][CH2:13][CH2:14]3)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[c:7]2[c:8](-[c:15]3[cH:16][cH:17][n:18][c:19]4[cH:20][c:21]([O:25][CH2:26][CH2:27][OH:28])[cH:22][cH:23][c:24]34)[c:9]3[n:10]([n:11]2)[CH2:12][CH2:13][CH2:14]3)[cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 17980600HCID 17980600, compound

Product 1

HCID 17980603700874-74-4

Sources & evidence

ORD record
ord-c39ca71b651c40d795a9c28345d0587d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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