Acetonitrile → {4-[{3-[1-(4-Chloro-phenyl)-1-methyl-ethyl]-pyridin-2-ylmethyl}-(3,5-dimethyl-pyridin-2-ylmethyl)-amino]-butyl}-cyclopropyl-carbamic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:21])[cH:18][c:19]1[CH3:20])[CH:22]1[CH2:23][CH2:24]1)=[O:25].[CH3:57][C:58]#[N:59].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:35][c:36]1[cH:37][cH:38][c:39]([C:42]([CH3:43])([CH3:44])[c:45]2[c:46]([CH2:51][O:52][S:53]([CH3:54])(=[O:55])=[O:56])[n:47][cH:48][cH:49][cH:50]2)[cH:40][cH:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][N:12]([CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:21])[cH:18][c:19]1[CH3:20])[CH2:51][c:46]1[c:45]([C:42]([c:39]2[cH:38][cH:37][c:36]([Cl:35])[cH:41][cH:40]2)([CH3:43])[CH3:44])[cH:50][cH:49][cH:48][n:47]1)[CH:22]1[CH2:23][CH2:24]1)=[O:25]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-ff049e6ea46340eb80e1605869f4764e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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