Triethylamine → Ethyl 6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]nicotinate
Reaction equation
[CH3:1][C:2]1([CH3:15])[CH2:3][CH2:4][S:5][c:6]2[cH:7][c:8]([CH3:14])[c:9]([C:12]#[CH:13])[cH:10][c:11]21.[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cl:16][c:17]1[n:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][cH:27]1.[I-:28].[Pd:29]([Cl:30])[Cl:31].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[CH3:1][C:2]1([CH3:15])[CH2:3][CH2:4][S:5][c:6]2[cH:7][c:8]([CH3:14])[c:9]([C:12]#[C:13][c:17]3[n:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][cH:27]3)[cH:10][c:11]21Participants
7
Sources & evidence
- ORD record
- ord-14e1d130599e4cde9a7478659eae24d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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