Ammonium → 2-Cyclopropyl-7-fluoro-5-methyl-6-phenylbenzoxazole-4-carbonitrile
Reaction equation
[Br:1][c:2]1[c:3]([F:17])[c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH2:11]3)[o:8]2)[c:12]([C:15]#[N:16])[c:13]1[CH3:14].[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[Cl-:35].[K+:32].[K+:33].[K+:34].[NH4+:36].[OH:18][B:19]([OH:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[P:27]([O-:28])([O-:29])([O-:30])=[O:31].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:3]([F:17])[c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH2:11]3)[o:8]2)[c:12]([C:15]#[N:16])[c:13]1[CH3:14]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-a4a72648c2dc49f79051a54cc81e820b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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