Acetic Acid → HCID 22010879, compound

HRID 694794Notes

Reaction equation

HRID 694794 reaction equation
[CH3:52][CH2:53][OH:54].[CH3:55][C:56](=[O:57])[OH:58].[Fe:59].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([C:16](=[O:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[N:25]([c:26]4[c:27]([O:32][CH2:33][c:34]5[n:35][cH:36][c:37]([C:40](=[O:41])[N:42]6[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]6)[cH:38][cH:39]5)[cH:28][cH:29][cH:30][cH:31]4)[CH3:49])[cH:50][cH:51]3)[cH:12][cH:13][cH:14][cH:15]2)[cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([C:16](=[O:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[N:25]([c:26]4[c:27]([O:32][CH2:33][c:34]5[n:35][cH:36][c:37]([C:40](=[O:41])[N:42]6[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]6)[cH:38][cH:39]5)[cH:28][cH:29][cH:30][cH:31]4)[CH3:49])[cH:50][cH:51]3)[cH:12][cH:13][cH:14][cH:15]2)[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 23925IronHCID 22010785HCID 22010785, compound

Product 1

HCID 22010879HCID 22010879, compound

Sources & evidence

ORD record
ord-ba892ac06a144ff1981976a8e5feb26d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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