Acetic Acid → HCID 18968921, compound

HRID 2133339Notes

Reaction equation

HRID 2133339 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:23]([c:24]1[cH:25][c:26]([CH:27]([CH3:28])[CH3:29])[cH:30][c:31]([CH:32]([CH3:33])[CH3:34])[c:35]1[S:36](=[O:37])(=[O:38])[N:41]=[N+:42]=[N-:43])([CH3:39])[CH3:40].[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[c:1]1([C:7]2=[N:13][CH:12]=[CH:11][N:10]([CH2:14][C:15]([F:16])([F:17])[F:18])[c:9]3[c:8]2[cH:22][cH:21][cH:20][cH:19]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[N:13][C:12]([N:41]=[N+:42]=[N-:43])=[CH:11][N:10]([CH2:14][C:15]([F:16])([F:17])[F:18])[c:9]3[c:8]2[cH:22][cH:21][cH:20][cH:19]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 3717072,4,6-Triisopropylbenzenesulfonyl azideHCID 19070846HCID 19070846, compound

Product 1

HCID 18968921HCID 18968921, compound

Sources & evidence

ORD record
ord-7d96887fb66e4df9b01f11416507cc2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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