Acetic Acid → HCID 68639193, compound

HRID 1126442Notes

Reaction equation

HRID 1126442 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([N+:32]([O-:33])=[O:34])[c:9]1[C:10]#[C:11][CH2:12][C:13]([C:14]([F:15])([F:16])[F:17])([OH:18])[CH2:19][C:20]1([CH3:31])[CH2:21][CH2:22][O:23][c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][c:29]21.[CH3:35][CH2:36][OH:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Fe:48]>>[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([NH2:32])[c:9]1[C:10]#[C:11][CH2:12][C:13]([C:14]([F:15])([F:16])[F:17])([OH:18])[CH2:19][C:20]1([CH3:31])[CH2:21][CH2:22][O:23][c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][c:29]21

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 8857Ethyl AcetateHCID 23925IronHCID 68639170HCID 68639170, compound

Product 1

HCID 68639193HCID 68639193, compound

Sources & evidence

ORD record
ord-166a6452cb4343ac9d92265e4f101125
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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