Toluene → HCID 68625825, compound
Reaction equation
[CH2:25]([SnH:26]([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[N:38]#[C:39][C:40]([N:41]=[N:42][C:43]([C:44]#[N:45])([CH3:46])[CH3:47])([CH3:48])[CH3:49].[NH2:1][CH:2]1[CH2:3][N:4]([c:8]2[n:9]([CH2:16][c:17]3[c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23][cH:24]3)[c:10](=[O:15])[c:11]([Br:14])[cH:12][n:13]2)[CH2:5][CH2:6][CH2:7]1.[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([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)[P:101]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[NH2:1][CH:2]1[CH2:3][N:4]([c:8]2[n:9]([CH2:16][c:17]3[c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23][cH:24]3)[c:10](=[O:15])[cH:11][cH:12][n:13]2)[CH2:5][CH2:6][CH2:7]1Participants
6
Sources & evidence
- ORD record
- ord-83b1789f673a4ed0b6307a7c452b665d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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