Toluene → HCID 67195387, compound
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([NH2:26])[CH2:24][CH2:25]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:27]1([P:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2-[c:41]2[c:42]([CH:43]([CH3:44])[CH3:45])[cH:46][c:47]([CH:48]([CH3:49])[CH3:50])[cH:51][c:52]2[CH:53]([CH3:54])[CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[CH:70](=[CH:71][C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)=[O:81])[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([I:12])[cH:7][cH:8][n:9][c:10]2[cH:11]1.[Pd:68].[Pd:69]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:26][CH:23]3[CH2:22][CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-ae958198a9074a279e71182df28bda94
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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