Water → Pazinaclone

HRID 207577Notes

Reaction equation

HRID 207577 reaction equation
[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8]([N:12]3[CH:13]([CH2:22][C:23](=[O:24])[OH:25])[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[C:20]3=[O:21])[n:9][c:10]2[n:11]1.[O:31]1[CH2:32][CH2:33][O:34][C:35]12[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2.[OH2:51].[P:41]([C:42]#[N:43])(=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8]([N:12]3[CH:13]([CH2:22][C:23](=[O:24])[N:38]4[CH2:37][CH2:36][C:35]5([O:31][CH2:32][CH2:33][O:34]5)[CH2:40][CH2:39]4)[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[C:20]3=[O:21])[n:9][c:10]2[n:11]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 674351,4-Dioxa-8-azaspiro(4.5)decaneHCID 76257Diethyl cyanophosphonateHCID 13655948HCID 13655948, compound

Product 1

HCID 59743Pazinaclone

Sources & evidence

ORD record
ord-080b47ca564547c39b188460d58afda8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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