Toluene → HCID 57600258, compound
Reaction equation
[Br:1][c:2]1[n:3][c:4]2[n:5]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[c:6]3[n:7]([c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[c:21]([CH3:24])[n:22][n:23]3.[CH2:30]([Sn:31]([CH2:32][CH2:33][CH2:34][CH3:40])([c:35]1[s:36][cH:37][cH:38][n:39]1)[CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:35]2[s:36][cH:37][cH:38][n:39]2)[n:3][c:4]2[n:5]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[c:6]3[n:7]([c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[c:21]([CH3:24])[n:22][n:23]3Participants
5
Sources & evidence
- ORD record
- ord-5bf3560f58c945cfa5e57bc24b168f6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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