Benzene → HCID 178432349, compound

HRID 1145259Notes

Reaction equation

HRID 1145259 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]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.[H-:35].[NH2:26][c:27]1[cH:28][cH:29][c:30]([F:31])[cH:32][cH:33]1.[Na+:34].[S:42]([Cl:43])([Cl:44])=[O:45].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]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:26][c:27]4[cH:28][cH:29][c:30]([F:31])[cH:32][cH:33]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 97314-FluoroanilineHCID 24386Thionyl ChlorideHCID 166653HydrideHCID 178432356HCID 178432356, compound

Product 1

HCID 178432349HCID 178432349, compound

Sources & evidence

ORD record
ord-da04a03c4bf74aa29f20a19b1c8ab698
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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