Chloride → 4-Methyl-7-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[c]pyrrolo[1,2,3-ef][1,5]benzodiazepine

HRID 1135397Notes

Reaction equation

HRID 1135397 reaction equation
[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[c:18]([cH:19]1)[CH2:17][CH2:16][N:6]3[c:7]1[c:8]([cH:12][cH:13][cH:14][cH:15]1)[C:9](=[O:11])[NH:10]2.[CH3:20][N:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl-:27].[Cl-:28].[Cl-:29].[Cl-:30].[Ti+4:31]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[c:18]([cH:19]1)[CH2:17][CH2:16][N:6]3[c:7]1[c:8]([cH:12][cH:13][cH:14][cH:15]1)[C:9]([N:24]1[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]1)=[N:10]2

Participants

6

Reactant 5

HCID 312Chloride4×HCID 1140TolueneHCID 531671-MethylpiperazineHCID 114942Titanium cation (4+)HCID 138232804-Methyl-1,2-dihydrobenzo[c]pyrrolo[1,2,3-ef][1,5]benzodiazepin-7-one

Product 1

HCID 138232734-Methyl-7-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[c]pyrrolo[1,2,3-ef][1,5]benzodiazepine

Sources & evidence

ORD record
ord-e7ee1a88ff1f41c4ba2738e110d790ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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