Toluene → 2-Amino-6-methyl-5-(5-chlorothien-2-yl)benzonitrile
Reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([Sn:7]([CH2:8][CH2:9][CH2:10][CH3:11])([CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH2:18][CH3:19])[s:6]1.[NH2:20][c:21]1[c:22]([C:23]#[N:24])[c:25]([CH3:30])[c:26]([I:29])[cH:27][cH:28]1.[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:26]2[c:25]([CH3:30])[c:22]([C:23]#[N:24])[c:21]([NH2:20])[cH:28][cH:27]2)[s:6]1Participants
5
Sources & evidence
- ORD record
- ord-6c303557e3054af096e9eaad8b21c130
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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