Toluene → HCID 68887628, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][c:23]3[n:24][c:25](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[o:26][c:27]3[CH3:28])[cH:19][cH:20]2)[c:6]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:7]1.[CH3:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH3:35][Sn:36]([CH3:37])([CH3:38])[CH3:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1([CH3:35])[cH:3][cH:4][c:5]([O:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][c:23]3[n:24][c:25](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[o:26][c:27]3[CH3:28])[cH:19][cH:20]2)[c:6]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-68b138b54daf40f8b9bcfe09ec8c7eb5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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