1,4-Dioxane → HCID 10166066, compound
Reaction equation
[O:1]=[C:2]1[S:3][C:4](=[CH:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][c:17]([CH2:21][N:22]([C:23]([O:24][CH2:25][CH:26]4[c:27]5[cH:28][cH:29][cH:30][cH:31][c:32]5-[c:33]5[cH:34][cH:35][cH:36][cH:37][c:38]54)=[O:39])[CH3:40])[cH:18][cH:19][cH:20]3)[cH:13][cH:14]2)[C:5](=[O:7])[NH:6]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[O:1]=[C:2]1[S:3][CH:4]([CH2:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][c:17]([CH2:21][N:22]([C:23]([O:24][CH2:25][CH:26]4[c:27]5[cH:28][cH:29][cH:30][cH:31][c:32]5-[c:33]5[cH:34][cH:35][cH:36][cH:37][c:38]54)=[O:39])[CH3:40])[cH:18][cH:19][cH:20]3)[cH:13][cH:14]2)[C:5](=[O:7])[NH:6]1Participants
3
Sources & evidence
- ORD record
- ord-30e13307cf4747c9ae768c21d260eace
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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