Acetic Acid → HCID 135982116, compound

HRID 1149337Notes

Reaction equation

HRID 1149337 reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[F:1][c:2]1[c:3]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][n:30]3)[c:19](=[O:21])[nH:20]2)[NH:31][c:32]2[cH:33][cH:34][c:35]([C:38]([NH:39][OH:40])=[NH:41])[cH:36][cH:37]2)[cH:4][c:5]([O:13][CH3:14])[c:6]2[c:12]1[O:11][CH2:10][CH2:9][CH2:8][O:7]2.[Fe:49].[OH2:42]>>[F:1][c:2]1[c:3]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][n:30]3)[c:19](=[O:21])[nH:20]2)[NH:31][c:32]2[cH:33][cH:34][c:35]([C:38](=[NH:39])[NH2:41])[cH:36][cH:37]2)[cH:4][c:5]([O:13][CH3:14])[c:6]2[c:12]1[O:11][CH2:10][CH2:9][CH2:8][O:7]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 23925IronHCID 178492115HCID 178492115, compound

Product 1

HCID 135982116HCID 135982116, compound

Sources & evidence

ORD record
ord-964115d6b46a49718a245dee74ae8319
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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