Toluene → HCID 87234958, compound
Reaction equation
[CH3:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[CH3:19][Sn:20]([c:21]1[cH:22][n:23][cH:24][c:25]([C:26]#[N:27])[cH:28]1)([CH3:29])[CH3:30].[Cl:1][c:2]1[n:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[n:5][c:6]([Cl:8])[cH:7]1.[Cu:31]([I:32])[I:33].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([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)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([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)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1>>[c:2]1(-[c:21]2[cH:22][n:23][cH:24][c:25]([C:26]#[N:27])[cH:28]2)[n:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[n:5][c:6]([Cl:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-6d4960ba599d4f2387344e08a5461ffc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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