Propyne → 4,5-dihydro-5-methyl-3-(1-propynyl)-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one

HRID 2332704Notes

Reaction equation

HRID 2332704 reaction equation
[CH2:21]([NH:22][CH2:23][CH3:24])[CH3:25].[CH3:18][C:19]#[CH:20].[Cu:67][I:68].[I:1][c:2]1[n:3][cH:4][n:5]2[c:6]1[CH2:7][N:8]([CH3:17])[C:9](=[O:16])[c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1.[Pd:26]([Cl:27])[Cl:28].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:2]1([C:18]#[C:19][CH3:20])[n:3][cH:4][n:5]2[c:6]1[CH2:7][N:8]([CH3:17])[C:9](=[O:16])[c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 6335PropyneHCID 8021DiethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 198306774,5-dihydro-3-iodo-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Product 1

HCID 198515514,5-dihydro-5-methyl-3-(1-propynyl)-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Sources & evidence

ORD record
ord-86fdf3ac56434a9591e3db6677f1bd33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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