Benzene → HCID 178441027, compound

HRID 140042Notes

Reaction equation

HRID 140042 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][c:39]([NH2:40])[cH:41][cH:42]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]2[c:10]([cH:11][c:12]3[C:13](=[O:14])[OH:15])[n:16][c:17]([NH:19][c:20]3[c:21]([Cl:27])[cH:22][cH:23][cH:24][c:25]3[Cl:26])[nH:18]2)[CH2:2][CH2:3]1.[H-:44].[Na+:43].[S:28]([Cl:29])([Cl:30])=[O:31].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]2[c:10]([cH:11][c:12]3[C:13](=[O:15])[NH:40][c:39]3[cH:38][cH:37][c:36]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:42][cH:41]3)[n:16][c:17]([NH:19][c:20]3[c:21]([Cl:27])[cH:22][cH:23][cH:24][c:25]3[Cl:26])[nH:18]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 698614-Tert-ButylanilineHCID 166653HydrideHCID 178524059HCID 178524059, compound

Product 1

HCID 178441027HCID 178441027, compound

Sources & evidence

ORD record
ord-b1246518d249428e90f0cef26df3eaf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…