Ethyl Acetate → HCID 12004131, compound

HRID 126044Notes

Reaction equation

HRID 126044 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[C:18]([F:19])([F:20])[F:21])[CH2:10][CH2:11]2.[Cs+:26].[Cs+:27].[F:28][C:29]([S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]1)([F:40])[F:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[c:2]1([NH:39][c:36]2[cH:35][cH:34][c:33]([S:30]([C:29]([F:28])([F:40])[F:41])(=[O:31])=[O:32])[cH:38][cH:37]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[C:18]([F:19])([F:20])[F:21])[CH2:10][CH2:11]2

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 1363154-Aminophenyl trifluoromethyl sulphoneHCID 59021481HCID 59021481, compound

Product 1

HCID 12004131HCID 12004131, compound

Sources & evidence

ORD record
ord-e34865eb8fa34d06af1defe386db6fb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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