1,1-Dichloroethane → 4-{2-[5-(2-Cyano-4-fluorophenoxy)-indazol-1-yl]-ethyl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 1117757Notes

Reaction equation

HRID 1117757 reaction equation
[C:23]([O:24][BH-:25]([O:26][C:27](=[O:28])[CH3:29])[O:30][C:31](=[O:32])[CH3:33])(=[O:34])[CH3:35].[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[Cl:49][CH:50]([Cl:51])[CH3:52].[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[cH:14][n:15][n:16]([CH2:20][CH:21]=[O:22])[c:17]3[cH:18][cH:19]2)[c:6]([C:7]#[N:8])[cH:9]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[cH:14][n:15][n:16]([CH2:20][CH2:21][N:46]4[CH2:45][CH2:44][N:43]([C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])[CH2:48][CH2:47]4)[c:17]3[cH:18][cH:19]2)[c:6]([C:7]#[N:8])[cH:9]1

Participants

5

Reactant 4

HCID 63651,1-DichloroethaneHCID 143452tert-Butyl piperazine-1-carboxylateHCID 2724942TriacetoxyborohydrideHCID 574187725-Fluoro-2-[1-(2-oxoethyl)-1H-indazol-5-yloxy]-benzonitrile

Product 1

HCID 674105684-{2-[5-(2-Cyano-4-fluorophenoxy)-indazol-1-yl]-ethyl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-52263333df46439288f417c1dc70c86c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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