Benzene → HCID 21416162, compound

HRID 2350549Notes

Reaction equation

HRID 2350549 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)[S:6][c:7]1[c:8]([cH:17][c:18]([F:21])[cH:19][cH:20]1)[CH:9]([N:11]1[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1)[CH2:10]2.[Cl:32][CH2:33][CH2:34][N:35]1[C:36](=[O:40])[O:37][CH2:38][CH2:39]1.[I-:31].[K+:28].[K+:29].[K+:30].[OH2:47].[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)[S:6][c:7]1[c:8]([cH:17][c:18]([F:21])[cH:19][cH:20]1)[CH:9]([N:11]1[CH2:12][CH2:13][N:14]([CH2:33][CH2:34][N:35]3[C:36](=[O:40])[O:37][CH2:38][CH2:39]3)[CH2:15][CH2:16]1)[CH2:10]2

Participants

9

Reactant 8

HCID 241BenzeneHCID 813Potassium Cation3×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 756333-(2-Chloroethyl)-1,3-oxazolidin-2-oneHCID 21416142HCID 21416142, compound

Product 1

HCID 21416162HCID 21416162, compound

Sources & evidence

ORD record
ord-84831b1adc9544138f6691e1685dcc45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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