Bromide ion → 3,3-Dimethylspiro-(cyclopropane-1,1'-indene)2-carboxylic acid alpha-cyano-3-phenoxy-4-fluoro-benzyl ester
Reaction equation
[Br-:38].[CH3:18][C:19]1([CH3:33])[CH:20]([C:30](=[O:31])[OH:32])[C:21]12[CH:22]=[CH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][c:29]12.[CH3:39][CH2:40][CH2:41][CH2:42][N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[Cl-:17].[Na:34][C:35]#[N:36].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14][c:15]1[F:16].[OH2:37]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:11]([O:12][C:30]([CH:20]2[C:19]([CH3:18])([CH3:33])[C:21]23[CH:22]=[CH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]23)=[O:31])[C:35]#[N:36])[cH:13][cH:14][c:15]1[F:16]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-eba8e12fd96e446b803b92e29e71502f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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