Dimethylformamide → [10-(4-Cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepin-3-yl]-(4-methyl-piperazin-1-yl)-methanone

HRID 1554913Notes

Reaction equation

HRID 1554913 reaction equation
[C:1]1([c:7]2[c:8]([CH3:32])[cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][c:15]4[n:16]([c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]4)[CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[cH:30][cH:31]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH3:33][N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]1([c:7]2[c:8]([CH3:32])[cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][c:15]4[n:16]([c:24]([C:27](=[O:28])[N:37]5[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]5)[cH:25][cH:26]4)[CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[cH:30][cH:31]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 10113257HCID 10113257, compound

Product 1

HCID 10118276[10-(4-Cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepin-3-yl]-(4-methyl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-6c02fa6cf28441bfb98c0236909a95c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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