Acetonitrile → Dimethyl 4-benzyloxy-1-{2-[(tert-butoxycarbonyl)amino]-1-(ethoxycarbonyl)ethyl}-1H-pyrazole-3,5-dicarboxylate

HRID 125157

Reaction equation

HRID 125157 reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][CH2:30][CH:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[O:37][S:38]([CH3:39])(=[O:40])=[O:41].[C:42](=[O:43])([O-:44])[O-:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:18](=[O:19])[O:20][CH3:21])[n:11][nH:12][c:13]1[C:14](=[O:15])[O:16][CH3:17].[CH3:48][C:49]#[N:50].[Cs+:46].[Cs+:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:18](=[O:19])[O:20][CH3:21])[n:11]([CH:31]([CH2:30][NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:12][c:13]1[C:14](=[O:15])[O:16][CH3:17]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 57528491dimethyl 4-benzyloxy-1H-pyrazole-3,5-dicarboxylateHCID 86617817Ethyl 3-[(tert-butoxycarbonyl)amino]-2-(methylsulfonyloxy)propanoate

Product 1

HCID 68952340Dimethyl 4-benzyloxy-1-{2-[(tert-butoxycarbonyl)amino]-1-(ethoxycarbonyl)ethyl}-1H-pyrazole-3,5-dicarboxylate

Sources & evidence

ORD record
ord-c9d57096002a41d0b0fd1019b4055dcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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