Acetic Acid → HCID 11740079, compound

HRID 319904Notes

Reaction equation

HRID 319904 reaction equation
[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][c:19]4[c:20]([n:21]([CH2:24][CH2:25][CH2:26][O:27][CH:28]5[CH2:29][CH2:30][CH2:31][CH2:32][O:33]5)[cH:22][n:23]4)[cH:34]3)[c:10]3[n:11]([n:12]2)[CH2:13][CH2:14][CH2:15]3)[n:7]1.[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:35]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][c:19]4[c:20]([n:21]([CH2:24][CH2:25][CH2:26][OH:27])[cH:22][n:23]4)[cH:34]3)[c:10]3[n:11]([n:12]2)[CH2:13][CH2:14][CH2:15]3)[n:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 10027123HCID 10027123, compound

Product 1

HCID 11740079HCID 11740079, compound

Sources & evidence

ORD record
ord-ef297ec80cbd44ecaa6bb491d774c839
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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