1,4-Dioxane → HCID 59513778, compound
Reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][O:68][CH2:69]1.[CH3:42][O:43][c:44]1[cH:45][cH:46][c:47]([P:48]2(=[S:51])[S:49][P:50]([c:52]3[cH:53][cH:54][c:55]([O:56][CH3:57])[cH:58][cH:59]3)(=[S:60])[S:61]2)[cH:62][cH:63]1.[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([NH:11][c:12]1[n:13][cH:14][cH:15][c:16](-[c:18]3[c:19](-[c:27]4[cH:28][c:29]([NH:33][C:34]([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)=[O:41])[cH:30][cH:31][cH:32]4)[n:20][n:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[n:17]1)[cH:10]2>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([NH:11][c:12]1[n:13][cH:14][cH:15][c:16](-[c:18]3[c:19](-[c:27]4[cH:28][c:29]([NH:33][C:34]([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)=[S:51])[cH:30][cH:31][cH:32]4)[n:20][n:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[n:17]1)[cH:10]2Participants
4
Sources & evidence
- ORD record
- ord-ca2c12f2090a44c49384d5a17c9fe463
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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