Acetic Acid → HCID 22238162, compound

HRID 103754Notes

Reaction equation

HRID 103754 reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[CH3:55][CH2:56][OH:57].[Cl:1][c:2]1[c:3]([NH:24][C:25]([c:26]2[c:27]([N+:39]([O-:40])=[O:41])[cH:28][cH:29][c:30]([N:32]3[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]3)[cH:31]2)=[O:42])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([F:21])[cH:12][c:13]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:14]2)[cH:22][cH:23]1.[Fe:53].[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:54]>>[Cl:1][c:2]1[c:3]([NH:24][C:25]([c:26]2[c:27]([NH2:39])[cH:28][cH:29][c:30]([N:32]3[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]3)[cH:31]2)=[O:42])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([F:21])[cH:12][c:13]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:14]2)[cH:22][cH:23]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 23925IronHCID 22238147HCID 22238147, compound

Product 1

HCID 22238162HCID 22238162, compound

Sources & evidence

ORD record
ord-00cb9ebe273643dfa17b390bf59e1c62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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