Benzene → HCID 178432348, compound

HRID 180535Notes

Reaction equation

HRID 180535 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11][c:12]3[cH:13][c:14]([C:23](=[O:24])[OH:25])[c:15]4[c:16]([n:17][c:18]([CH3:20])[o:19]4)[c:21]3[nH:22]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[F:30][C:31]([c:32]1[cH:33][cH:34][c:35]([NH2:36])[cH:37][cH:38]1)([F:39])[F:40].[H-:42].[Na+:41].[S:26]([Cl:27])([Cl:28])=[O:29].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11][c:12]3[cH:13][c:14]([C:23](=[O:24])[NH:36][c:35]4[cH:34][cH:33][c:32]([C:31]([F:30])([F:39])[F:40])[cH:38][cH:37]4)[c:15]4[c:16]([n:17][c:18]([CH3:20])[o:19]4)[c:21]3[nH:22]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 99644-(Trifluoromethyl)anilineHCID 24386Thionyl ChlorideHCID 166653HydrideHCID 178432356HCID 178432356, compound

Product 1

HCID 178432348HCID 178432348, compound

Sources & evidence

ORD record
ord-797b9acdcac24cfd9fe8643c93cc6ee2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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