Acetate → Tert-butyl-3-chloro-14-cyclohexyl-6-[2-(dimethylamino)ethyl]-7-oxo-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate

HRID 152132Notes

Reaction equation

HRID 152132 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]2[c:12]([CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)[c:13]([Br:34])[n:14]([CH2:17][C:18](=[O:19])[N:20]([CH2:21][CH2:22][N:23]([CH3:24])[CH3:25])[CH2:26][c:27]3[c:28]([Br:35])[cH:29][cH:30][c:31]([Cl:33])[cH:32]3)[c:15]2[cH:16]1.[CH3:42][C:43]1([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48][B:49]([B:50]2[O:51][C:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[O:58]2)[O:59]1.[CH3:61][C:62](=[O:63])[O-:64].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[K+:60].[N:65]#[N:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]2[c:12]([CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)[c:13]3[n:14]([c:15]2[cH:16]1)[CH2:17][C:18](=[O:19])[N:20]([CH2:21][CH2:22][N:23]([CH3:24])[CH3:25])[CH2:26][c:27]1[c:28]-3[cH:29][cH:30][c:31]([Cl:33])[cH:32]1

Participants

8

Reactant 7

HCID 175AcetateHCID 813Potassium CationHCID 947NitrogenHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 2733548Bis(pinacolato)diboraneHCID 68507168tert-butyl-2-bromo-1-(2-{(2-bromo-5-chlorobenzyl)[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-3-cyclohexyl-1H-indole-6-carboxylate

Product 1

HCID 68509559Tert-butyl-3-chloro-14-cyclohexyl-6-[2-(dimethylamino)ethyl]-7-oxo-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate

Sources & evidence

ORD record
ord-9cf2444619824b5ea76fa9df27f8169e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…