Benzene → HCID 178432346, compound

HRID 291104Notes

Reaction equation

HRID 291104 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[c:34]1[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]1.[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.[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:25])[NH:38][c:37]4[cH:36][cH:35][c:34]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:40][cH:39]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 24386Thionyl ChlorideHCID 698614-Tert-ButylanilineHCID 166653HydrideHCID 178432356HCID 178432356, compound

Product 1

HCID 178432346HCID 178432346, compound

Sources & evidence

ORD record
ord-f4bfbcda76f7432182766ad2b1c748c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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