Toluene → 8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-bromo-propyl)adenine
Reaction equation
[Br:1][c:2]1[c:3]([S:11][c:12]2[n:13][c:14]3[n:15][cH:16][n:17][c:18]([NH2:21])[c:19]3[nH:20]2)[cH:4][c:5]2[c:6]([cH:10]1)[O:7][CH2:8][O:9]2.[Br:41][CH2:42][CH2:43][CH2:44][OH:45].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:60]([OH:61])([CH3:62])[CH3:63].[Cl:46][CH:47]([Cl:48])[Cl:49].[Cl:57][CH2:58][Cl:59].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[Br:1][c:2]1[c:3]([S:11][c:12]2[n:13]([CH2:44][CH2:43][CH2:42][Br:41])[c:14]3[n:15][cH:16][n:17][c:18]([NH2:21])[c:19]3[n:20]2)[cH:4][c:5]2[c:6]([cH:10]1)[O:7][CH2:8][O:9]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d85ecf7d767c41b8a75296933e57214b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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