Benzene → HCID 178432345, compound

HRID 1226253Notes

Reaction equation

HRID 1226253 reaction equation
[Br:30][c:31]1[cH:32][cH:33][c:34]([NH2:35])[cH:36][cH:37]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]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-:39].[Na+:38].[S:26]([Cl:27])([Cl:28])=[O:29].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH: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:25])[NH:35][c:34]4[cH:33][cH:32][c:31]([Br:30])[cH:37][cH:36]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 78074-BromoanilineHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 166653HydrideHCID 178432356HCID 178432356, compound

Product 1

HCID 178432345HCID 178432345, compound

Sources & evidence

ORD record
ord-5b64c16a26de49acbbf75ce786273359
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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