Ethyl Acetate → HCID 25234309, compound

HRID 2320359Notes

Reaction equation

HRID 2320359 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH2:37]([CH:38]1[CH2:39][CH2:40][CH2:41][O:42]1)[Cl:43].[CH2:51]([N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[cH:12][cH:13][c:14]([CH2:16][NH:17][S:18](=[O:19])(=[O:20])[c:21]3[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]3)[s:15]2)[cH:8][cH:9][cH:10]1.[CH3:44][N:45]([CH3:46])[C:47](=[O:48])[CH3:49].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cs+:35].[Cs+:36].[I-:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[cH:12][cH:13][c:14]([CH2:16][N:17]([S:18](=[O:19])(=[O:20])[c:21]3[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]3)[CH2:37][CH:38]3[CH2:39][CH2:40][CH2:41][O:42]3)[s:15]2)[cH:8][cH:9][cH:10]1

Participants

9

Reactant 8

HCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 181502-Chloromethyl tetrahydrofuranHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 67440497HCID 67440497, compound

Product 1

HCID 25234309HCID 25234309, compound

Sources & evidence

ORD record
ord-994e5bd57e4042fbbc1c3af8addae6d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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