N-Methylaniline → 5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

HRID 153665Notes

Reaction equation

HRID 153665 reaction equation
[CH3:23][NH:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH3:14])[c:9]1[c:8]([cH:18][c:17]([CH2:19][Cl:20])[cH:16][n:15]1)[C:7](=[O:21])[N:6]2[CH3:22]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH3:14])[c:9]1[c:8]([cH:18][c:17]([CH2:19][N:24]([CH3:23])[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:16][n:15]1)[C:7](=[O:21])[N:6]2[CH3:22]

Participants

3

Reactant 2

HCID 7515N-MethylanilineHCID 108307382-chloro-8-chloromethyl-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Product 1

HCID 4706745-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Sources & evidence

ORD record
ord-37c2b3a3c1aa4b00b16b95dc85082d4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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