Benzene → N-methyl-10,11-dihydro5H-dibenzo[a,d]cyclohepten-5-imine

HRID 171444

Reaction equation

HRID 171444 reaction equation
[C:19](=[O:20])([OH:21])[O-:22].[CH3:17][NH2:18].[Cl-:30].[Cl-:31].[Cl-:32].[Cl-:33].[Na+:23].[Ti+4:34].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[O:16].[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[C:6]2=[N:18][CH3:17]

Participants

8

Reactant 7

HCID 241BenzeneHCID 312Chloride4×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6329MethylamineHCID 14589DibenzosuberoneHCID 114942Titanium cation (4+)

Product 1

HCID 21541752N-methyl-10,11-dihydro5H-dibenzo[a,d]cyclohepten-5-imine

Sources & evidence

ORD record
ord-11701d144e5545e1ad46c9fc9721598d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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