Acetic Acid → HCID 12018740, compound

HRID 1138889Notes

Reaction equation

HRID 1138889 reaction equation
[CH3:1][C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][CH2:19][NH:20][c:21]2[n+:22]([O-:27])[cH:23][cH:24][cH:25][cH:26]2)[cH:14][cH:15]1)[c:28]1[cH:29][n:30][cH:31][cH:32][cH:33]1.[CH3:54][C:55](=[O:56])[OH:57].[Fe:53].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][CH2:19][NH:20][c:21]2[n:22][cH:23][cH:24][cH:25][cH:26]2)[cH:14][cH:15]1)[c:28]1[cH:29][n:30][cH:31][cH:32][cH:33]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 11776TriphenylphosphineHCID 23925IronHCID 178471300HCID 178471300, compound

Product 1

HCID 12018740HCID 12018740, compound

Sources & evidence

ORD record
ord-baf46f72b4264853aa45d075cf8cdeac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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