Acetonitrile → 3-[4-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]but-1-ynyl]benzenesulfonamide

HRID 199278Notes

Reaction equation

HRID 199278 reaction equation
[C:49](#[N:50])[CH3:51].[CH2:1]([CH2:2][C:3]#[CH:4])[O:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:13](=[O:29])[O:14][CH:15]([c:17]2[cH:18][c:19]3[c:20]([cH:27][cH:28]2)[O:21][C:22]([CH3:25])([CH3:26])[O:23][CH2:24]3)[CH2:16]1.[CH2:42]([N:43]([CH2:44][CH3:45])[CH2:46][CH3:47])[CH3:48].[I-:41].[I:30][c:31]1[cH:32][c:33]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:34][cH:35][cH:36]1>>[CH2:1]([CH2:2][C:3]#[C:4][c:31]1[cH:32][c:33]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:34][cH:35][cH:36]1)[O:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:13](=[O:29])[O:14][CH:15]([c:17]2[cH:18][c:19]3[c:20]([cH:27][cH:28]2)[O:21][C:22]([CH3:25])([CH3:26])[O:23][CH2:24]3)[CH2:16]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 30165Iodide IonHCID 112198063-Iodobenzene-1-sulfonamideHCID 218670603-(6-but-3-ynoxyhexyl)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

Product 1

HCID 218955493-[4-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]but-1-ynyl]benzenesulfonamide

Sources & evidence

ORD record
ord-3e94b15e6b784ff1a5c0d51d4fb69e05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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