Dichloromethane → 7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1,3,4,10a-tetrahydro-2H,9H-2,4a,5,9-tetraaza-phenanthren-10-one

HRID 180974Notes

Reaction equation

HRID 180974 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]2[C:11](=[O:36])[NH:12][c:13]3[cH:14][c:15]([CH2:22][N:23]4[CH2:24][CH2:25][N:26]([c:29]5[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]5)[CH2:27][CH2:28]4)[cH:16][n:17][c:18]3[N:19]2[CH2:20][CH2:21]1)([CH3:5])([CH3:6])[CH3:7].[Cl:37][CH2:38][Cl:39]>>[NH:8]1[CH2:9][CH:10]2[C:11](=[O:36])[NH:12][c:13]3[cH:14][c:15]([CH2:22][N:23]4[CH2:24][CH2:25][N:26]([c:29]5[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]5)[CH2:27][CH2:28]4)[cH:16][n:17][c:18]3[N:19]2[CH2:20][CH2:21]1

Participants

3

Reactant 2

HCID 6344DichloromethaneHCID 583243557-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-10-oxo-1,3,4,9,10,10a-hexahydro-2,4-a,5,9-tetraaza-phenanthrene-2-carboxylic acid tert-butyl ester

Product 1

HCID 583244517-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1,3,4,10a-tetrahydro-2H,9H-2,4a,5,9-tetraaza-phenanthren-10-one

Sources & evidence

ORD record
ord-d99fc8668057417999b5332408a292e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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