1,2-Dichloroethane → Tert-butyl 3-[3-[1-[(5-cyano-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]azetidine-1-carboxylate

HRID 304368Notes

Reaction equation

HRID 304368 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:12](=[O:13])[OH:14])[CH2:11]1.[CH2:15]([Cl:16])[CH2:17][Cl:18].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:36][c:37]1[cH:38][c:39]([CH:44]2[CH:45]([CH:49]([CH3:50])[O:51][c:52]3[n:53][cH:54][c:55]([C:56]#[N:57])[cH:58][cH:59]3)[CH2:46][NH:47][CH2:48]2)[cH:40][cH:41][c:42]1[Cl:43].[Cl:60][CH2:61][Cl:62].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:12](=[O:14])[N:47]2[CH2:46][CH:45]([CH:49]([CH3:50])[O:51][c:52]3[n:53][cH:54][c:55]([C:56]#[N:57])[cH:58][cH:59]3)[CH:44]([c:39]3[cH:38][c:37]([Cl:36])[c:42]([Cl:43])[cH:41][cH:40]3)[CH2:48]2)[CH2:11]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 27559811-Boc-Azetidine-3-carboxylic acidHCID 669997186-{(SR)-1-[(3RS,4SR)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile

Product 1

HCID 66999509Tert-butyl 3-[3-[1-[(5-cyano-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]azetidine-1-carboxylate

Sources & evidence

ORD record
ord-aa1c233b7b834a48b0eeba55cb390bfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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