1,4-Dioxane → HCID 9901636, compound
Reaction equation
[CH3:1][S:2][c:3]1[n:4][n:5][c:6]([C:20]#[N:21])[c:7]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:8]1.[NH2:22][CH2:23][CH:24]1[CH2:25][CH2:26]1.[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1>>[c:3]1([NH:22][CH2:23][CH:24]2[CH2:25][CH2:26]2)[n:4][n:5][c:6]([C:20]#[N:21])[c:7]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:8]1Participants
4
Sources & evidence
- ORD record
- ord-0722a300a7244bc594b1fb2c3d3f14f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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