Sodium ion → 6-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)isoquinoline
Reaction equation
[Br:1][c:2]1[s:3][c:4]([S:7][CH3:8])[n:5][n:6]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:105][O:106][CH2:107][CH2:108][O:109][CH3:110].[Na+:26].[Na+:27].[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[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)[cH:103][cH:104]1.[cH:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([B:19]([OH:20])[OH:21])[cH:16][cH:17][c:18]12>>[c:2]1(-[c:15]2[cH:14][c:13]3[cH:12][cH:11][n:10][cH:9][c:18]3[cH:17][cH:16]2)[s:3][c:4]([S:7][CH3:8])[n:5][n:6]1Participants
7
Sources & evidence
- ORD record
- ord-cf03cf9cc9c54149aadc46c3e9207305
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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