Chloride → 2-{4-[5-(4-Chlorophenyl)pyrazin-2-ylethynyl]phenoxy}ethyl methanesulfonate
Reaction equation
[CH3:2][S:3](=[O:4])(=[O:5])[OH:6].[Cl-:1].[Cl:38][CH2:39][Cl:40].[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][cH:16][c:17]([C:20]#[C:21][c:22]3[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][OH:29])[cH:30][cH:31]3)[n:18][cH:19]2)[cH:12][cH:13]1.[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[CH3:2][S:3](=[O:4])(=[O:5])[O:6][CH2:28][CH2:27][O:26][c:25]1[cH:24][cH:23][c:22]([C:21]#[C:20][c:17]2[cH:16][n:15][c:14](-[c:11]3[cH:10][cH:9][c:8]([Cl:7])[cH:13][cH:12]3)[cH:19][n:18]2)[cH:31][cH:30]1Participants
6
Sources & evidence
- ORD record
- ord-39a365c6e3a640cd9eb914dfb75e86bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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