N,N-Dimethylaniline → 1,2,3,4-Tetrahydro-8-methyl-12-(4-methylpiperazin-1-yl)-[1]benzothieno[2,3-b][1,5]benzothiazepine

HRID 118074Notes

Reaction equation

HRID 118074 reaction equation
[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[NH:6][C:7](=[O:18])[c:8]1[c:9]([s:11][c:12]3[c:13]1[CH2:14][CH2:15][CH2:16][CH2:17]3)[S:10]2.[CH3:26][N:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH3:34].[CH3:35][N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[P:21]([Cl:22])([Cl:23])([Cl:24])=[O:25]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[N:6]=[C:7]([N:39]1[CH2:38][CH2:37][N:36]([CH3:35])[CH2:41][CH2:40]1)[c:8]1[c:9]([s:11][c:12]3[c:13]1[CH2:14][CH2:15][CH2:16][CH2:17]3)[S:10]2

Participants

5

Reactant 4

HCID 949N,N-DimethylanilineHCID 24813Phosphorus oxychlorideHCID 531671-MethylpiperazineHCID 184222031,2,3,4-tetrahydro-8-methyl-[1]benzothieno[2,3-b][1,5]benzothiazepin-12(11H)-one

Product 1

HCID 184223071,2,3,4-Tetrahydro-8-methyl-12-(4-methylpiperazin-1-yl)-[1]benzothieno[2,3-b][1,5]benzothiazepine

Sources & evidence

ORD record
ord-d2aa209720d7479e99548f62d90b27a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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