Ethanol → HCID 69001429, compound

HRID 2324459Notes

Reaction equation

HRID 2324459 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]([N+:31]([O-:32])=[O:33])[c:17]([CH:20]=[CH:21][c:22]3[n:23][nH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]34)[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:35][CH2:36][OH:37].[Fe:38].[OH2:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]([NH2:31])[c:17]([CH:20]=[CH:21][c:22]3[n:23][nH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]34)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 23925IronHCID 69000497HCID 69000497, compound

Product 1

HCID 69001429HCID 69001429, compound

Sources & evidence

ORD record
ord-ab2fdb44177f49f4b6de09698db9fc94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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