Toluene → 1-[[9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
Reaction equation
[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:1]([CH3:2])([CH3:3])[N:4]([CH2:5][CH2:6][NH:7][C:8](=[O:9])[n:10]1[cH:11][cH:12][n:13][cH:14]1)[CH:15]([CH3:16])[CH3:17].[CH:60]([OH:61])([CH3:62])[CH3:63].[Cl:64][CH2:65][Cl:66].[NH2:18][CH2:19][c:20]1[n:21][c:22]([NH:38][CH2:39][CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:23]2[n:24][cH:25][n:26]([CH:29]3[O:30][CH:31]([CH2:36][OH:37])[CH:32]([OH:35])[CH:33]3[OH:34])[c:27]2[n:28]1>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH2:5][CH2:6][NH:7][C:8](=[O:9])[NH:18][CH2:19][c:20]1[n:21][c:22]([NH:38][CH2:39][CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:23]2[n:24][cH:25][n:26]([CH:29]3[O:30][CH:31]([CH2:36][OH:37])[CH:32]([OH:35])[CH:33]3[OH:34])[c:27]2[n:28]1)[CH:15]([CH3:16])[CH3:17]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-1578d946c17a45478ff30a8883c291e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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