Acetic Acid → HCID 19990856, compound

HRID 1567322Notes

Reaction equation

HRID 1567322 reaction equation
[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[S:9][CH:10]1[CH2:11][CH:12]([CH2:28][S:29][CH:30]([F:31])[F:32])[N:13]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[CH2:14]1.[CH3:33][OH:34].[CH3:35][O-:36].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][OH:43].[Na+:37].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[SH:9][CH:10]1[CH2:11][CH:12]([CH2:28][S:29][CH:30]([F:31])[F:32])[N:13]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[CH2:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887Methanol2×HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 3826051MethoxideHCID 178526143HCID 178526143, compound

Product 1

HCID 19990856HCID 19990856, compound

Sources & evidence

ORD record
ord-f012b9e8d4c047f4b420a0b30f3e135f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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