Chloride → Ethyl-6-[(2,2,4,4,7-pentamethyl-6-chromanyl)-ethynyl]nicotinate
Reaction equation
[CH3:1][C:2]1([CH3:17])[O:3][c:4]2[cH:5][c:6]([CH3:16])[c:7]([C:14]#[CH:15])[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl-:30].[Cl:18][c:19]1[n:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29]1.[I-:31].[Pd:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[CH3:1][C:2]1([CH3:17])[O:3][c:4]2[cH:5][c:6]([CH3:16])[c:7]([C:14]#[C:15][c:19]3[n:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29]3)[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1Participants
8
Sources & evidence
- ORD record
- ord-ae467aecb0d04fffa90e351bf307e0bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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