1,4-Dioxane → HCID 59381925, compound

HRID 163524Notes

Reaction equation

HRID 163524 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[N:11]([c:14]2[cH:15][c:16]3[c:17]([I:32])[cH:18][n:19]([S:23](=[O:24])(=[O:25])[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:20]3[cH:21][cH:22]2)[CH2:12][CH2:13]1.[Cu:40][C:41]#[N:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[N:11]([c:14]2[cH:15][c:16]3[c:17]([C:41]#[N:42])[cH:18][n:19]([S:23](=[O:24])(=[O:25])[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:20]3[cH:21][cH:22]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 59381950HCID 59381950, compoundHCID 178418546HCID 178418546, compound

Product 1

HCID 59381925HCID 59381925, compound

Sources & evidence

ORD record
ord-99cd44778d344d918093f9e3a25aa931
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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