Acetic Acid → HCID 87253318, compound

HRID 170170Notes

Reaction equation

HRID 170170 reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[c:3]2[nH:4][c:5](=[O:33])[n:6]([CH:22]3[CH2:23][CH2:24][O:25][c:26]4[c:27]([F:32])[cH:28][cH:29][cH:30][c:31]43)[c:7]2[n:8][c:9]([NH:11][c:12]2[c:13]([N+:19]([O-:20])=[O:21])[cH:14][cH:15][c:16]([F:18])[cH:17]2)[n:10]1.[Fe:41].[NH4+:39].[OH-:40].[OH2:38]>>[Cl:1][c:2]1[c:3]2[nH:4][c:5](=[O:33])[n:6]([CH:22]3[CH2:23][CH2:24][O:25][c:26]4[c:27]([F:32])[cH:28][cH:29][cH:30][c:31]43)[c:7]2[n:8][c:9]([NH:11][c:12]2[c:13]([NH2:19])[cH:14][cH:15][c:16]([F:18])[cH:17]2)[n:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 702EthanolHCID 961HydroxideHCID 962WaterHCID 23925IronHCID 76625637HCID 76625637, compound

Product 1

HCID 87253318HCID 87253318, compound

Sources & evidence

ORD record
ord-349e8a4561f24b6ab7e0a49e238e1789
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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