Dimethyl Sulfoxide → [1-Benzyl-4-(4-bromo-thiophen-2-yl)-pyrrolidin-3-yl]-acetonitrile

HRID 1546593Notes

Reaction equation

HRID 1546593 reaction equation
[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[N:29]1[CH2:30][CH:31]([CH2:40][O:41][S:42]([c:43]2[cH:44][cH:45][c:46]([CH3:47])[cH:48][cH:49]2)(=[O:50])=[O:51])[CH:32]([c:34]2[s:35][cH:36][c:37]([Br:39])[cH:38]2)[CH2:33]1.[CH3:52][S:53]([CH3:54])=[O:55].[K:19][C:20]#[N:21].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[OH2:56]>>[C:20](#[N:21])[CH2:40][CH:31]1[CH2:30][N:29]([CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:33][CH:32]1[c:34]1[s:35][cH:36][c:37]([Br:39])[cH:38]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 2855718-Crown-6HCID 58624930Toluene-4-sulfonic acid 1-benzyl-4-(4-bromo-thiophen-2-yl)-pyrrolidine-3-yl-methyl esterHCID 178511842HCID 178511842, compound

Product 1

HCID 67316400[1-Benzyl-4-(4-bromo-thiophen-2-yl)-pyrrolidin-3-yl]-acetonitrile

Sources & evidence

ORD record
ord-5feba71ee140423dbe31e3545719ba1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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