Tetrahydrofuran → 2-(9-chloro-5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-N-(1-cyanobutan-2-yl)-3-methylbutanamide

HRID 148665Notes

Reaction equation

HRID 148665 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[Cl:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[OH:15])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13.[NH2:22][CH:23]([CH2:24][C:25]#[N:26])[CH2:27][CH3:28].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Cl:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[NH:22][CH:23]([CH2:24][C:25]#[N:26])[CH2:27][CH3:28])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 934513-AminopentanenitrileHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 1784476062-(9-chloro-5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-3-methylbutanoic acid

Product 1

HCID 753019752-(9-chloro-5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-N-(1-cyanobutan-2-yl)-3-methylbutanamide

Sources & evidence

ORD record
ord-60a94e21c33c4cee8802e15e48683218
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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