Acetic Acid → HCID 135430974, compound

HRID 2151143Notes

Reaction equation

HRID 2151143 reaction equation
[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:37][CH2:38][CH2:39][CH3:40])[c:16](-[c:18]3[nH:19][c:20](=[O:36])[c:21]4[n:22](-[c:27]5[cH:28][cH:29][c:30]([N+:33]([O-:34])=[O:35])[cH:31][cH:32]5)[cH:23][n:24][c:25]4[n:26]3)[cH:17]2)[CH2:7][CH2:8]1.[CH3:41][C:42](=[O:43])[OH:44].[Fe:46].[OH2:45]>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:37][CH2:38][CH2:39][CH3:40])[c:16](-[c:18]3[nH:19][c:20](=[O:36])[c:21]4[n:22](-[c:27]5[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]5)[cH:23][n:24][c:25]4[n:26]3)[cH:17]2)[CH2:7][CH2:8]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 135506364HCID 135506364, compound

Product 1

HCID 135430974HCID 135430974, compound

Sources & evidence

ORD record
ord-659ffb2bc1504581a0605c4694396a0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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