Dimethylamine → alpha-(Dimethylamino)-N-[4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzeneacetamide

HRID 184346

Reaction equation

HRID 184346 reaction equation
[C:52]([O:53][CH2:54][CH3:55])(=[O:56])[CH3:57].[CH3:34][NH:35][CH3:36].[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[C:44]1=[O:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:58][OH:59].[Cl:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]2[CH2:15][c:16]3[n:17]([cH:25][cH:26][cH:27]3)[CH2:18][c:19]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)[cH:10][cH:11]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]2[CH2:15][c:16]3[n:17]([cH:25][cH:26][cH:27]3)[CH2:18][c:19]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)[cH:10][cH:11]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[N:35]([CH3:34])[CH3:36]

Participants

7

Reactant 6

HCID 674DimethylamineHCID 887MethanolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 21837022alpha-Chloro-N-[4-(5H-pyrrolo[2,1-c][1,4)benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzeneacetamide

Product 1

HCID 21837078alpha-(Dimethylamino)-N-[4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzeneacetamide

Sources & evidence

ORD record
ord-7e48e08f67044f4a807d0c6ce1572ae5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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