Acetic Acid → HCID 59464141, compound

HRID 294823Notes

Reaction equation

HRID 294823 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:33][C:34](=[O:35])[OH:36].[F:5][c:6]1[c:7]([NH:12][c:13]2[n:14][n:15][c:16]([C:18](=[O:19])[NH:20][c:21]3[cH:22][n:23][c:24]([N:27]4[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]4)[cH:25][cH:26]3)[o:17]2)[cH:8][cH:9][cH:10][cH:11]1.[Na:1][O:2][C:3]#[N:4].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:43]>>[O:2]=[C:3]([NH2:4])[N:30]1[CH2:29][CH2:28][N:27]([c:24]2[n:23][cH:22][c:21]([NH:20][C:18]([c:16]3[n:15][n:14][c:13]([NH:12][c:7]4[c:6]([F:5])[cH:11][cH:10][cH:9][cH:8]4)[o:17]3)=[O:19])[cH:26][cH:25]2)[CH2:32][CH2:31]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 59464054HCID 59464054, compoundHCID 178418852HCID 178418852, compound

Product 1

HCID 59464141HCID 59464141, compound

Sources & evidence

ORD record
ord-10aeb53b1b314a9b8bb722a9c12d2e03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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