Sodium ion → HCID 67141758, compound

HRID 1206427Notes

Reaction equation

HRID 1206427 reaction equation
[F:31][c:32]1[c:33]([N:38]=[C:39]=[O:40])[cH:34][cH:35][cH:36][cH:37]1.[I-:30].[Na+:29].[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:13](=[O:14])[N:15]3[CH2:16][CH2:17][N:18]([c:21]4[c:22]([CH3:28])[cH:23][cH:24][c:25]([CH3:27])[cH:26]4)[CH2:19][CH2:20]3)[CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:12][CH:11]([C:13](=[O:14])[N:15]3[CH2:16][CH2:17][N:18]([c:21]4[c:22]([CH3:28])[cH:23][cH:24][c:25]([CH3:27])[cH:26]4)[CH2:19][CH2:20]3)[N:38]([c:33]3[c:32]([F:31])[cH:37][cH:36][cH:35][cH:34]3)[C:39]2=[O:40])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 30165Iodide IonHCID 855882-Fluorophenyl isocyanateHCID 86623480((R)-1-benzenesulfonyl-aziridin-2-yl)-[4-(2,5-dimethyl-phenyl)-piperazin-1-yl]-methanone

Product 1

HCID 67141758HCID 67141758, compound

Sources & evidence

ORD record
ord-4af30b1d040c4e608654ebcb93bc9688
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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