1,2-Dichloroethane → 4-[(3RS,4SR)-3-[(SR)-1-(5-Cyano-pyridin-2-yloxy)-ethyl]-4-(3,4-dichloro-phenyl)-pyrrolidine-1-carbonyl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 1225516Notes

Reaction equation

HRID 1225516 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]1.[CH2:17]([Cl:18])[CH2:19][Cl:20].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:38][c:39]1[cH:40][c:41]([CH:46]2[CH:47]([CH:51]([CH3:52])[O:53][c:54]3[n:55][cH:56][c:57]([C:58]#[N:59])[cH:60][cH:61]3)[CH2:48][NH:49][CH2:50]2)[cH:42][cH:43][c:44]1[Cl:45].[Cl:62][CH2:63][Cl:64].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:16])[N:49]2[CH2:48][CH:47]([CH:51]([CH3:52])[O:53][c:54]3[n:55][cH:56][c:57]([C:58]#[N:59])[cH:60][cH:61]3)[CH:46]([c:41]3[cH:40][c:39]([Cl:38])[c:44]([Cl:45])[cH:43][cH:42]3)[CH2:50]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 3928711-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acidHCID 669997186-{(SR)-1-[(3RS,4SR)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile

Product 1

HCID 669996164-[(3RS,4SR)-3-[(SR)-1-(5-Cyano-pyridin-2-yloxy)-ethyl]-4-(3,4-dichloro-phenyl)-pyrrolidine-1-carbonyl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b78fc848877c4cb99271ae5371de7cb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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