1,4-Dioxane → HCID 136388310, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([C:15]([NH:16][c:17]2[cH:18][cH:19][c:20]([NH:23][c:24]3[n:25][c:26](-[c:33]4[cH:34][c:35]5[cH:36][cH:37][c:38]([O:43][CH2:44][c:45]6[cH:46][cH:47][cH:48][cH:49][cH:50]6)[cH:39][c:40]5[cH:41][cH:42]4)[cH:27][c:28]4[n:29]3[n:30][cH:31][cH:32]4)[cH:21][cH:22]2)=[O:51])[cH:13][cH:14]1)=[O:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([C:15]([NH:16][c:17]2[cH:18][cH:19][c:20]([NH:23][c:24]3[n:25][c:26](-[c:33]4[cH:34][c:35]5[cH:36][cH:37][c:38]([OH:43])[cH:39][c:40]5[cH:41][cH:42]4)[cH:27][c:28]4[n:29]3[n:30][cH:31][cH:32]4)[cH:21][cH:22]2)=[O:51])[cH:13][cH:14]1)=[O:52]Participants
3
Sources & evidence
- ORD record
- ord-efcd73d08a454bba867feaae914b4655
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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