Ethanol → 9,10-dihydro-4-(pyrrolidinoacetyl)-4H-thieno[3,4-b][1,5]benzodiazepin-10-one

HRID 113147Notes

Reaction equation

HRID 113147 reaction equation
[CH2:20]1[CH2:21][CH2:22][NH:23][CH2:24]1.[CH3:31][CH2:32][OH:33].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[c:6]2[c:7]([cH:17][s:18][cH:19]2)[C:8](=[O:16])[NH:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30]>>[CH2:2]([C:3](=[O:4])[N:5]1[c:6]2[c:7]([cH:17][s:18][cH:19]2)[C:8](=[O:16])[NH:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:23]1[CH2:22][CH2:21][CH2:20][CH2:24]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 31268PyrrolidineHCID 200638994-chloroacetyl-9,10-dihydro-4H-thieno[3,4-b][1,5]benzodiazepin-10-one

Product 1

HCID 205038009,10-dihydro-4-(pyrrolidinoacetyl)-4H-thieno[3,4-b][1,5]benzodiazepin-10-one

Sources & evidence

ORD record
ord-dd3e4de77e8d4aed8089ed47d1ab916c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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