1,4-Dioxane → HCID 68857366, compound
Reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[CH:21]1([NH:24][C:25](=[O:26])[c:27]2[cH:28][cH:29][c:30]([O:44][CH3:45])[c:31]3[s:32][c:33](-[c:36]4[n:37][c:38]([Cl:43])[n:39][cH:40][c:41]4[Cl:42])[cH:34][c:35]23)[CH2:22][CH2:23]1.[NH2:10][CH2:11][CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]1>>[NH:10]([CH2:11][CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]1)[c:38]1[n:37][c:36](-[c:33]2[s:32][c:31]3[c:30]([O:44][CH3:45])[cH:29][cH:28][c:27]([C:25]([NH:24][CH:21]4[CH2:22][CH2:23]4)=[O:26])[c:35]3[cH:34]2)[c:41]([Cl:42])[cH:40][n:39]1Participants
5
Sources & evidence
- ORD record
- ord-cefb43eb22c54faea3537841a392ddcb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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