Acetone → HCID 10220574, compound
Reaction equation
[Br-:27].[Br:1][c:2]1[cH:3][c:4]([Cl:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[CH3:117][C:118](=[O:119])[CH3:120].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][OH:38].[F:11][c:12]1[c:13]([B:19]([OH:20])[OH:21])[c:14]([F:18])[cH:15][cH:16][cH:17]1.[K+:28].[Na+:26].[O-:22][C:23]([OH:24])=[O:25].[OH2:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([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)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:13]2[c:12]([F:11])[cH:17][cH:16][cH:15][c:14]2[F:18])[cH:3][c:4]([Cl:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-5a647abf3aff422a932f903b9a7d57d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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