Acetate → 2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-10-(4-methylpiperazin-1-yl)-5,6-dihydroimidazo[1,2-d]pyrido[4,3-f][1,4]oxazepine

HRID 299936Notes

Reaction equation

HRID 299936 reaction equation
[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH2:31]([N:32]1[CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][N:38]([CH2:39][CH2:40][CH2:41][CH3:42])[P:43]1[N:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50]2)[CH2:51][CH2:52][CH3:53].[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:24][N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:54][C:55]([CH3:56])([O-:57])[CH3:58].[CH3:75][S:76]([CH3:77])=[O:78].[Cl:1][c:2]1[cH:3][c:4]2[c:10]([cH:11][n:12]1)[O:9][CH2:8][CH2:7][n:6]1[c:5]-2[n:15][c:14](-[c:16]2[n:17][cH:18][n:19][n:20]2[CH:21]([CH3:22])[CH3:23])[cH:13]1.[Na+:59].[Pd+2:70]>>[c:2]1([N:28]2[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]2)[cH:3][c:4]2[c:10]([cH:11][n:12]1)[O:9][CH2:8][CH2:7][n:6]1[c:5]-2[n:15][c:14](-[c:16]2[n:17][cH:18][n:19][n:20]2[CH:21]([CH3:22])[CH3:23])[cH:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 312751,4-DioxaneHCID 531671-MethylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 575886892,8,9-Tributyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecaneHCID 5820431910-chloro-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[4,3-f][1,4]oxazepine

Product 1

HCID 582043332-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-10-(4-methylpiperazin-1-yl)-5,6-dihydroimidazo[1,2-d]pyrido[4,3-f][1,4]oxazepine

Sources & evidence

ORD record
ord-eb001ffa61e74388a562aa12920a8adc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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