Acetic Acid → HCID 16074975, compound

HRID 1208328Notes

Reaction equation

HRID 1208328 reaction equation
[C:57]([OH:58])(=[O:59])[CH3:60].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([CH2:17][N:18]([c:19]2[c:20]([C:30](=[O:31])[O:32][CH3:33])[s:21][c:22](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:23]2)[C:34]([c:35]2[c:36]([Cl:42])[cH:37][c:38]([Cl:41])[cH:39][cH:40]2)=[O:43])[CH2:15][CH2:16]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:47][OH:48].[CH3:54][OH:55].[Li+:45].[OH-:44].[OH2:46].[OH2:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([CH2:17][N:18]([c:19]2[c:20]([C:30](=[O:31])[OH:32])[s:21][c:22](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:23]2)[C:34]([c:35]2[c:36]([Cl:42])[cH:37][c:38]([Cl:41])[cH:39][cH:40]2)=[O:43])[CH2:15][CH2:16]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887Methanol2×HCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 67299243HCID 67299243, compound

Product 1

HCID 16074975HCID 16074975, compound

Sources & evidence

ORD record
ord-0b0388e536a2487eb59011cf7af82a96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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