Hydrochloric Acid → 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine

HRID 1217192Notes

Reaction equation

HRID 1217192 reaction equation
[CH3:18][N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH3:34][S:35]([CH3:36])=[O:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[ClH:1].[cH:2]1[cH:3][cH:4][cH:5][c:6]2[c:12]1[C:11]([NH2:13])=[N:10][c:9]1[c:8]([cH:17][cH:16][cH:15][cH:14]1)[NH:7]2>>[cH:2]1[cH:3][cH:4][cH:5][c:6]2[c:12]1[C:11]([N:13]1[CH2:21][CH2:20][N:19]([CH3:18])[CH2:24][CH2:23]1)=[N:10][c:9]1[c:8]([cH:17][cH:16][cH:15][cH:14]1)[NH:7]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 1140TolueneHCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 21093535HCID 21093535, compound

Product 1

HCID 1610311-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine

Sources & evidence

ORD record
ord-d3e4eb0c789b42a3aefc3291655e51a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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