Acetic Acid → 4-(2,6-Dichloro-4-trifluoromethylphenyl)-2-isopropylthioaniline

HRID 320715Notes

Reaction equation

HRID 320715 reaction equation
[CH2:31]([S:32][c:33]1[cH:34][c:35](-[c:36]2[c:37]([C:38]([F:39])([F:40])[F:41])[n:42][nH:43][cH:44]2)[cH:45][cH:46][c:47]1[C:48]([O:49][CH3:50])=[O:51])[CH2:52][CH3:53].[CH3:2][C:3](=[O:4])[OH:5].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:6]([CH3:7])([CH3:8])[S:9][c:10]1[c:11]([N+:28]([O-:29])=[O:30])[cH:12][cH:13][c:14](-[c:16]2[c:17]([Cl:27])[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][c:21]2[Cl:22])[cH:15]1.[Fe:61].[OH2:1]>>[CH:6]([CH3:7])([CH3:8])[S:9][c:10]1[c:11]([NH2:28])[cH:12][cH:13][c:14](-[c:16]2[c:17]([Cl:27])[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][c:21]2[Cl:22])[cH:15]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 23925IronHCID 22170887[5-(2,6-Dichloro-4-trifluoromethylphenyl)-2-nitrophenyl]isopropyl sulfideHCID 178460720HCID 178460720, compound

Product 1

HCID 221709304-(2,6-Dichloro-4-trifluoromethylphenyl)-2-isopropylthioaniline

Sources & evidence

ORD record
ord-d794da6bb1644e42b9200ce8df1bd5ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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