1,4-Dioxane → HCID 67055899, compound
Reaction equation
[CH2:26]([CH2:27][CH2:39][CH3:40])[C:28]([Sn:29])=[C:30]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:9]2[c:10]([NH:12][CH2:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[n:11]1>>[c:2]1([CH:26]=[CH2:27])[n:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:9]2[c:10]([NH:12][CH2:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[n:11]1Participants
4
Sources & evidence
- ORD record
- ord-614e51d877a1452aa0bb046e76c2a7b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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