1,4-Dioxane → HCID 178433343, compound
Reaction equation
[CH3:22][C:23]1([CH3:31])[O:24][CH2:25][CH:26]([CH2:28][O:29][NH2:30])[O:27]1.[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[NH:10][C:11]2=[S:12].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1>>[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[NH:10][C:11]2=[N:30][O:29][CH2:28][CH:26]1[CH2:25][O:24][C:23]([CH3:22])([CH3:31])[O:27]1Participants
4
Sources & evidence
- ORD record
- ord-755d0bb50f3a4e908899e0b33bb415c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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