Dimethylformamide → N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)-4-phenylbut-3-enamide

HRID 1228530Notes

Reaction equation

HRID 1228530 reaction equation
[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[Cl:75][CH2:76][Cl:77].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]3[c:10]([c:11](-[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[nH:12][c:13]3[cH:14]1)[cH:21][n:22][nH:23][c:24]2=[O:25])[CH:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[c:32]1([CH:38]=[CH:39][CH2:40][C:41]([OH:42])=[O:43])[cH:33][cH:34][cH:35][cH:36][cH:37]1.[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]3[c:10]([c:11](-[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[nH:12][c:13]3[cH:14]1)[cH:21][n:22][nH:23][c:24]2=[O:25])[CH:39]=[CH:38][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 929234-Phenyl-3-Butenoic AcidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 1354753612-amino-2-cyclohexyl-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)acetamide

Product 1

HCID 136507175N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)-4-phenylbut-3-enamide

Sources & evidence

ORD record
ord-505e6b3a44e541ec82ad942540e41bf1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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