Acetic Acid → HCID 59275296, compound

HRID 2129175Notes

Reaction equation

HRID 2129175 reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[CH3:42][CH2:43][OH:44].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13](=[O:14])[NH:15][CH3:16])[c:17]([N+:39]([O-:40])=[O:41])[c:18](-[c:21]2[cH:22][c:23]([C:27]([NH:28][C:29]([CH3:30])([CH3:31])[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)=[O:38])[cH:24][cH:25][cH:26]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[Fe:55]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13](=[O:14])[NH:15][CH3:16])[c:17]([NH2:39])[c:18](-[c:21]2[cH:22][c:23]([C:27]([NH:28][C:29]([CH3:30])([CH3:31])[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)=[O:38])[cH:24][cH:25][cH:26]2)[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 8857Ethyl AcetateHCID 23925IronHCID 59275466HCID 59275466, compound

Product 1

HCID 59275296HCID 59275296, compound

Sources & evidence

ORD record
ord-52d10fefdbfa48e48883b2b2379c9b90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…