Acetic Acid → HCID 135999739, compound

HRID 2315996Notes

Reaction equation

HRID 2315996 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[c:10]([Br:43])[cH:11][cH:12][c:13]([NH:15][CH:16]([c:17]2[n:18][n:19](-[c:23]3[c:24]([N+:29]([O-:30])=[O:31])[cH:25][cH:26][cH:27][cH:28]3)[c:20](=[O:22])[nH:21]2)[c:32]2[c:33]([F:42])[cH:34][c:35]([O:40][CH3:41])[c:36]([O:38][CH3:39])[cH:37]2)[cH:14]1)=[O:44].[C:47]([OH:48])(=[O:49])[CH3:50].[CH3:51][OH:52].[Fe:45].[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[c:10]([Br:43])[cH:11][cH:12][c:13]([NH:15][CH:16]([c:17]2[n:18][n:19](-[c:23]3[c:24]([NH2:29])[cH:25][cH:26][cH:27][cH:28]3)[c:20](=[O:22])[nH:21]2)[c:32]2[c:33]([F:42])[cH:34][c:35]([O:40][CH3:41])[c:36]([O:38][CH3:39])[cH:37]2)[cH:14]1)=[O:44]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 23925IronHCID 136338459HCID 136338459, compound

Product 1

HCID 135999739HCID 135999739, compound

Sources & evidence

ORD record
ord-2cb4ea7b10ba4888941d4ea426f17321
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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