Dimethylformamide → Diethyl 2-(4-tert-butoxycarbonylaminobutyl)-2-[1-(5-cyclopropyl-[1,3,4]thiadiazol-2-ylmethyl)-1H-imidazol-4-yl]malonate

HRID 310645Notes

Reaction equation

HRID 310645 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[NH:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])([C:35](=[O:36])[O:37][CH2:38][CH3:39])[c:40]1[n:41][cH:42][nH:43][cH:44]1.[C:1](=[O:2])([O-:3])[O-:4].[Cl:7][CH2:8][c:9]1[s:10][c:11]([CH:14]2[CH2:15][CH2:16]2)[n:12][n:13]1.[Cs+:5].[Cs+:6].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH2:8]([c:9]1[s:10][c:11]([CH:14]2[CH2:15][CH2:16]2)[n:12][n:13]1)[n:43]1[cH:42][n:41][c:40]([C:29]([CH2:28][CH2:27][CH2:26][CH2:25][NH:24][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])([C:30](=[O:31])[O:32][CH2:33][CH3:34])[C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:44]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27576792-(Chloromethyl)-5-cyclopropyl-1,3,4-thiadiazoleHCID 178471441HCID 178471441, compound

Product 1

HCID 67443151Diethyl 2-(4-tert-butoxycarbonylaminobutyl)-2-[1-(5-cyclopropyl-[1,3,4]thiadiazol-2-ylmethyl)-1H-imidazol-4-yl]malonate

Sources & evidence

ORD record
ord-a0b815c3662c44228707410e6ba24a97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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