Ethyl Acetate → tert-butyl 4-(1-(4-chlorophenyl)-4-(dimethylamino)butylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

HRID 307273Notes

Reaction equation

HRID 307273 reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][C:24]1([C:39](=[O:40])[OH:41])[CH2:25][CH2:26][N:27]([c:30]2[c:31]3[c:32]([n:33][cH:34][n:35]2)[nH:36][cH:37][cH:38]3)[CH2:28][CH2:29]1.[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:12]([CH3:13])[CH3:14])[NH2:15])[cH:6][cH:7]1.[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[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>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:12]([CH3:13])[CH3:14])[NH:15][C:39]([C:24]2([NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH2:25][CH2:26][N:27]([c:30]3[c:31]4[c:32]([n:33][cH:34][n:35]3)[nH:36][cH:37][cH:38]4)[CH2:28][CH2:29]2)=[O:40])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 577503701-(4-Chlorophenyl)-N4,N4-dimethylbutane-1,4-diamineHCID 577503944-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Product 1

HCID 66673745tert-butyl 4-(1-(4-chlorophenyl)-4-(dimethylamino)butylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Sources & evidence

ORD record
ord-b115597a2ff3434599645bdb1239bd51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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