Ethyl Acetate → HCID 59178869, compound

HRID 1206686Notes

Reaction equation

HRID 1206686 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1.[Cs+:36].[Cs+:37].[nH:27]1[n:28][cH:29][n:30][cH:31]1>>[c:2]1(-[n:27]2[n:28][cH:29][n:30][cH:31]2)[cH:3][c:4]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 92571H-1,2,4-TriazoleHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 59178818HCID 59178818, compound

Product 1

HCID 59178869HCID 59178869, compound

Sources & evidence

ORD record
ord-4fb77d09307b417786dc6e4970bf99e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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