Toluene → HCID 22678387, compound
Reaction equation
[CH2:25]([Sn:26]([CH2:27][CH2:28][CH2:29][CH3:35])([c:30]1[s:31][cH:32][cH:33][n:34]1)[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([CH2:16][C:17](=[O:18])[c:19]2[s:20][cH:21][cH:22][c:23]2[Br:24])[CH2:14][CH2:15]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([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)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([CH2:16][C:17](=[O:18])[c:19]2[s:20][cH:21][cH:22][c:23]2-[c:30]2[s:31][cH:32][cH:33][n:34]2)[CH2:14][CH2:15]1Participants
5
Sources & evidence
- ORD record
- ord-8c9ec44cd45d424ba51920728ae7f105
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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