Toluene → 2-Ethyl-9-methyl-10-oxo-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carbonitrile
Reaction equation
[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH3:14])[c:9]1[c:8]([cH:18][c:17]([CH2:19][CH2:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:16][n:15]1)[C:7](=[O:27])[N:6]2[CH3:28].[Na:29][C:30]#[N:31].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1([C:30]#[N:31])[cH:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH3:14])[c:9]1[c:8]([cH:18][c:17]([CH2:19][CH2:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:16][n:15]1)[C:7](=[O:27])[N:6]2[CH3:28]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-95c17321689a4ecaab63639c3f81c822
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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