Dimethylformamide → 4-[4-(Azepane-1-carbonyl)-thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

HRID 1217148Notes

Reaction equation

HRID 1217148 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[cH:18]2)=[CH:12][CH2:13]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:65][CH2:66][Cl:67].[NH:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:21])[N:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:18]2)=[CH:12][CH2:13]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8119AzepaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595425244-(4-Carboxy-thiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Product 1

HCID 595424584-[4-(Azepane-1-carbonyl)-thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-f6091ed5e51a41bcaf1e7bc79164c572
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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