Diisopropyl Ether → (3RS)-1,3-dihydro-3-(2-indolylcarbonylamino)-1-[2-(4-methyl-1-piperazinyl) ethyl]-5phenyl-2H-1,4-benzodiazepine-2-one

HRID 91621Notes

Reaction equation

HRID 91621 reaction equation
[CH3:34][N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH:41]([O:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[nH:1]1[c:2]([C:10](=[O:11])[NH:12][CH:13]2[C:14](=[O:33])[N:15]([CH2:30][CH2:31][Br:32])[c:16]3[c:17]([cH:26][cH:27][cH:28][cH:29]3)[C:18]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[N:19]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[c:2]([C:10](=[O:11])[NH:12][CH:13]2[C:14](=[O:33])[N:15]([CH2:30][CH2:31][N:38]3[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]3)[c:16]3[c:17]([cH:26][cH:27][cH:28][cH:29]3)[C:18]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[N:19]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

4

Reactant 3

HCID 7914Diisopropyl EtherHCID 531671-MethylpiperazineHCID 20097467(3RS)-1,3-dihydro-3-(2-indolylcarbonylamino)-1-(2-bromoethyl)-5-phenyl-2H-1, 4-benzodiazepine-2-one

Product 1

HCID 14800325(3RS)-1,3-dihydro-3-(2-indolylcarbonylamino)-1-[2-(4-methyl-1-piperazinyl) ethyl]-5phenyl-2H-1,4-benzodiazepine-2-one

Sources & evidence

ORD record
ord-bb3beff488f64a22810c88c8193c567d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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