1,4-Dioxane → HCID 57656346, compound
Reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([P:38]2(=[S:39])[S:40][P:42](=[S:43])([c:44]3[cH:45][cH:46][c:47]([O:48][CH3:49])[cH:50][cH:51]3)[S:41]2)[cH:52][cH:53]1.[Cl:1][c:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([NH:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)=[O:31])[cH:19][cH:20]2)[c:4]2[c:5]([cH:11][cH:12]1)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2>>[Cl:1][c:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([NH:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)=[S:41])[cH:19][cH:20]2)[c:4]2[c:5]([cH:11][cH:12]1)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2Participants
4
Sources & evidence
- ORD record
- ord-913507d3d476424d9e215616a6ec0f63
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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