Phosphorus oxychloride → 8-Methyl-12-(4-methylpiperazin-1-yl)-[1]benzothieno[2,3-b][1,5]benzothiazepine

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[cH:14][cH:15][cH:16][cH:17]3)[S:10]2.[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]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:30]1[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]1)[c:8]1[c:9]([s:11][c:12]3[c:13]1[cH:14][cH:15][cH:16][cH:17]3)[S:10]2

Participants

Reactant 3

HCID 24813Phosphorus oxychloride

HCID 531671-Methylpiperazine

HCID 184223588-methyl-[1]benzothieno[2,3-b][1,5]benzothiazepin-12(11H)-one

Product 1

HCID 184222188-Methyl-12-(4-methylpiperazin-1-yl)-[1]benzothieno[2,3-b][1,5]benzothiazepine

Sources & evidence

ORD record: ord-abe744d6d55740ebaee4e4928cd9f806
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…