1,3-Dipropyl-8-(4-sulfophenyl)xanthine → XANTHINE13DIPROPYL84DIMETHYLAMINOETHYLAMINOSULFO
Reaction equation
[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:27])[n:6]([CH2:24][CH2:25][CH3:26])[c:7]2[n:8][c:9](-[c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[OH:23])[cH:18][cH:19]3)[nH:10][c:11]2[c:12]1=[O:13].[CH3:32][N:33]([CH2:34][CH2:35][NH2:36])[CH3:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[S:28]([Cl:29])([Cl:30])=[O:31]>>[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:27])[n:6]([CH2:24][CH2:25][CH3:26])[c:7]2[n:8][c:9](-[c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[NH:36][CH2:35][CH2:34][N:33]([CH3:32])[CH3:37])[cH:18][cH:19]3)[nH:10][c:11]2[c:12]1=[O:13]Participants
5
Sources & evidence
- ORD record
- ord-85a0be8666224c6299909fcd78f82ee4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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