Chloride → dimethyl 13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-6,10-dicarboxylate

HRID 2340715Notes

Reaction equation

HRID 2340715 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH2:9]([N+:10]([CH2:11][CH3:12])([CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18])[CH3:19].[CH3:52][Si:53]([CH:54]=[N+:55]=[N-:56])([CH3:57])[CH3:58].[CH3:59][C:60]#[N:61].[Cl-:8].[Cl:1][C:2]([C:3](=[O:4])[O:5][CH3:6])=[CH2:7].[K+:24].[K+:25].[NH2:26][c:27]1[c:28](-[c:33]2[nH:34][c:35]3[cH:36][c:37]([C:48](=[O:49])[O:50][CH3:51])[cH:38][cH:39][c:40]3[c:41]2[CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[cH:29][cH:30][cH:31][cH:32]1>>[CH:2]1([C:3](=[O:4])[O:5][CH3:6])[CH2:7][n:34]2[c:33]([c:41]([CH:42]3[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]3)[c:40]3[c:35]2[cH:36][c:37]([C:48](=[O:49])[O:50][CH3:51])[cH:38][cH:39]3)-[c:28]2[c:27]([cH:32][cH:31][cH:30][cH:29]2)[NH:26]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 6659Methyl 2-chloroacrylateHCID 19660Carbonate IonHCID 457191-Butanaminium, N,N,N-triethyl-HCID 167693TrimethylsilyldiazomethaneHCID 11995001Methyl 2-(2-aminophenyl)-3-cyclohexyl-1H-indole-6-carboxylate

Product 1

HCID 66673930dimethyl 13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-6,10-dicarboxylate

Sources & evidence

ORD record
ord-04b7590548bf43ee8569d22457a02439
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…