Acetic Acid → HCID 66657507, compound

HRID 1133703Notes

Reaction equation

HRID 1133703 reaction equation
[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([SH:13]=[C:14]([O-:15])[CH3:16])[cH:11][cH:12]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[F:23][c:24]1[c:25]([C:32]2([C:38]#[N:39])[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[cH:26][cH:27][c:28]([F:31])[c:29]1[F:30].[K+:22].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([S:13][c:29]2[c:24]([F:23])[c:25]([C:32]3([C:38]#[N:39])[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[cH:26][cH:27][c:28]2[F:31])[cH:11][cH:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 45749132-Methylpropan-2-olateHCID 66657686HCID 66657686, compoundHCID 178477166HCID 178477166, compound

Product 1

HCID 66657507HCID 66657507, compound

Sources & evidence

ORD record
ord-346bc678606d461ea23a956b933170e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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