Acetic Acid → HCID 59382798, compound

HRID 143589Notes

Reaction equation

HRID 143589 reaction equation
[CH2:45]([O:46][C:47](=[O:48])[CH3:49])[CH3:50].[CH3:41][C:42](=[O:43])[OH:44].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[cH:23][c:24]([O:31][CH2:32][CH2:33][CH2:34][N:35]4[CH2:36][CH2:37][O:38][CH2:39][CH2:40]4)[c:25]([N+:28]([O-:29])=[O:30])[cH:26][c:27]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[Fe:51]>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[cH:23][c:24]([O:31][CH2:32][CH2:33][CH2:34][N:35]4[CH2:36][CH2:37][O:38][CH2:39][CH2:40]4)[c:25]([NH2:28])[cH:26][c:27]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 23925IronHCID 67335335HCID 67335335, compound

Product 1

HCID 59382798HCID 59382798, compound

Sources & evidence

ORD record
ord-4bae1d7350544c7794ae309d844ceb8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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