Dichloromethane → Methyl 6-{[{2-[[3-(aminosulfonyl)propyl]-(methyl)amino]ethyl}(methyl)amino]methyl}-13-cyclohexyl-5-methyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylate

HRID 2131058Notes

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 66674446methyl 13-cyclohexyl-5-methyl-6-(2,5,13,13-tetramethyl-9,9-dioxido-11-oxo-12-oxa-9-thia-2,5,10-triazatetradec-1-yl)-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylate

Product 1

HCID 66675171Methyl 6-{[{2-[[3-(aminosulfonyl)propyl]-(methyl)amino]ethyl}(methyl)amino]methyl}-13-cyclohexyl-5-methyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylate

Sources & evidence

ORD record: ord-1603108f628a439eb391b0c02d897a78
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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