Acetic Acid → HCID 19081762, compound

HRID 159051Notes

Reaction equation

HRID 159051 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[Fe:45].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[cH:15][c:16](-[c:20]3[cH:21][c:22]([CH2:30][c:31]4[c:32]([NH2:38])[n:33][c:34]([NH2:37])[n:35][cH:36]4)[cH:23][c:24]([O:28][CH3:29])[c:25]3[O:26][CH3:27])[cH:17][cH:18][cH:19]2)[cH:8][cH:9]1.[Na+:40].[OH-:39]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[cH:15][c:16](-[c:20]3[cH:21][c:22]([CH2:30][c:31]4[c:32]([NH2:38])[n:33][c:34]([NH2:37])[n:35][cH:36]4)[cH:23][c:24]([O:28][CH3:29])[c:25]3[O:26][CH3:27])[cH:17][cH:18][cH:19]2)[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 23925IronHCID 19081672HCID 19081672, compound

Product 1

HCID 19081762HCID 19081762, compound

Sources & evidence

ORD record
ord-3d0d39e69618466083b3a22b1435c77f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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