Acetonitrile → Methyl 3-[1-(4-chlorobenzyl)-3-(t-butylthio)-5-(1,6-naphthyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate

HRID 2133591Notes

Reaction equation

HRID 2133591 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:50][C:51]#[N:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:22][C:23]([C:24](=[O:25])[O:26][CH3:27])([CH3:28])[CH3:29])[c:9]([S:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:10]3[cH:11][c:12]([OH:16])[cH:13][cH:14][c:15]23)[cH:30][cH:31]1.[Cl:38][CH2:39][c:40]1[n:41][c:42]2[cH:43][cH:44][n:45][cH:46][c:47]2[cH:48][cH:49]1.[Cs+:36].[Cs+:37]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:22][C:23]([C:24](=[O:25])[O:26][CH3:27])([CH3:28])[CH3:29])[c:9]([S:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:10]3[cH:11][c:12]([O:16][CH2:39][c:40]4[n:41][c:42]5[cH:43][cH:44][n:45][cH:46][c:47]5[cH:48][cH:49]4)[cH:13][cH:14][c:15]23)[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 14980577Methyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoateHCID 191085252-Chloromethyl-1,6-naphthyridine

Product 1

HCID 19108529Methyl 3-[1-(4-chlorobenzyl)-3-(t-butylthio)-5-(1,6-naphthyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate

Sources & evidence

ORD record
ord-f9a0fbf0ec7b44119aa8a096a0ffe340
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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