Acetic Acid → HCID 46194540, compound

HRID 1232441Notes

Reaction equation

HRID 1232441 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([N+:7]([O-:8])=[O:9])[c:10]1[n:11][c:12]2[cH:13][cH:14][c:15]([O:20][CH:21]3[CH2:22][CH2:23][CH:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:25][CH2:26]3)[cH:16][c:17]2[cH:18][cH:19]1)=[O:31].[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][C:37]#[N:38].[Zn:39]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([NH2:7])[c:10]1[n:11][c:12]2[cH:13][cH:14][c:15]([O:20][CH:21]3[CH2:22][CH2:23][CH:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:25][CH2:26]3)[cH:16][c:17]2[cH:18][cH:19]1)=[O:31]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 23994ZincHCID 46194674HCID 46194674, compound

Product 1

HCID 46194540HCID 46194540, compound

Sources & evidence

ORD record
ord-76dfd4db93544b25b9869f3fbe2f0225
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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