Water → 6-(1-Ethynylbutoxy)-7,8-difluoro-2-pentylchroman
Reaction equation
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH:19]#[C:20][CH:21]([CH2:22][CH2:23][CH3:24])[OH:25].[F:1][c:2]1[c:3]([OH:18])[cH:4][c:5]2[c:10]([c:11]1[F:12])[O:9][CH:8]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:7][CH2:6]2.[O:45]=[C:46]([O:47][CH:48]([CH3:49])[CH3:50])[N:51]=[N:52][C:53]([O:54][CH:55]([CH3:56])[CH3:57])=[O:58].[OH2:64].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[F:1][c:2]1[c:3]([O:18][CH:21]([C:20]#[CH:19])[CH2:22][CH2:23][CH3:24])[cH:4][c:5]2[c:10]([c:11]1[F:12])[O:9][CH:8]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:7][CH2:6]2Participants
7
Sources & evidence
- ORD record
- ord-d65d0151480e4f448c317e75da50a4bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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