Ammonium → 4H-Thieno(3,4-b)(1,4)benzodiazepine, 9-(4-methyl-1-piperazinyl)-

HRID 313862Notes

Reaction equation

HRID 313862 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:38][CH:39]([OH:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:8][O:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[Cl-:33].[Cl-:34].[Cl-:35].[Cl-:36].[NH4+:31].[OH-:32].[Ti+4:37].[cH:16]1[s:17][cH:18][c:19]2[c:25]1[NH:24][C:23](=[O:26])[c:22]1[c:21]([cH:30][cH:29][cH:28][cH:27]1)[NH:20]2>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:23]2=[N:24][c:25]3[cH:16][s:17][cH:18][c:19]3[NH:20][c:21]3[c:22]2[cH:27][cH:28][cH:29][cH:30]3)[CH2:6][CH2:7]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312Chloride4×HCID 961HydroxideHCID 1140TolueneHCID 3776IsopropanolHCID 7519AnisoleHCID 531671-MethylpiperazineHCID 114942Titanium cation (4+)HCID 12482555HCID 12482555, compound

Product 1

HCID 30577014H-Thieno(3,4-b)(1,4)benzodiazepine, 9-(4-methyl-1-piperazinyl)-

Sources & evidence

ORD record
ord-14423134a8aa4d0eb54bbd155effa3a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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