Pyridine → ethyl 4-[3-(2-methoxyethyl)piperazin-1-yl]-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine-2-carboxylate

HRID 92119Notes

Reaction equation

HRID 92119 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]2[c:14]([s:15]1)[NH:13][c:12]1[c:11]([cH:19][cH:18][cH:17][cH:16]1)[NH:10][C:9]2=[S:20].[CH3:30][O:31][CH2:32][CH2:33][CH:34]1[NH:35][CH2:36][CH2:37][NH:38][CH2:39]1.[Cl:40][CH2:41][Cl:42].[F:21][C:22]([F:23])([F:24])[S:25]([O:26][CH3:27])(=[O:28])=[O:29].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]2[c:14]([s:15]1)[NH:13][c:12]1[c:11]([cH:19][cH:18][cH:17][cH:16]1)[N:10]=[C:9]2[N:38]1[CH2:37][CH2:36][NH:35][CH:34]([CH2:33][CH2:32][O:31][CH3:30])[CH2:39]1

Participants

6

Reactant 5

HCID 1049PyridineHCID 6344DichloromethaneHCID 9526Methyl triflateHCID 178066642-(2-Methoxyethyl)piperazineHCID 58626016HCID 58626016, compound

Product 1

HCID 136394790ethyl 4-[3-(2-methoxyethyl)piperazin-1-yl]-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine-2-carboxylate

Sources & evidence

ORD record
ord-653ab04c75b44d259d3d65a0c6eb7eed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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