Sodium ion → HCID 67140998, compound

HRID 2158471Notes

Reaction equation

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

Participants

Reactant 4

HCID 923Sodium ion

HCID 30165Iodide Ion

HCID 61033Propyl isocyanate

HCID 86623485[(S)-1-(2-chloro-benzenesulfonyl)-aziridin-2-yl]-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-methanone

Product 1

HCID 67140998HCID 67140998, compound

Sources & evidence

ORD record: ord-e542d62e2ac74a228b82ef754fdfe6e3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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