Acetonitrile → tert-Butyl 5-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

HRID 1554745Notes

Reaction equation

HRID 1554745 reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[CH2:29]1[N:30]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:31][CH:32]2[CH:33]1[CH2:34][NH:35][CH2:36]2.[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][CH:9]([O:10][c:11]1[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][cH:16]1)[c:21]1[cH:22][cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]1)(=[O:4])=[O:5].[CH3:50][C:51]#[N:52].[Cs+:48].[Cs+:49]>>[CH2:6]([CH2:7][CH2:8][CH:9]([O:10][c:11]1[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][cH:16]1)[c:21]1[cH:22][cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]1)[N:35]1[CH2:34][CH:33]2[CH2:29][N:30]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:31][CH:32]2[CH2:36]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 4142526Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylateHCID 218675684-(4-Cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl methanesulfonate

Product 1

HCID 21867606tert-Butyl 5-[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl]-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

Sources & evidence

ORD record
ord-642f6ea452484e88808aed3c00a7fb0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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