Toluene → HCID 57949744, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[C:8](=[O:11])[N:7]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19]1)[CH2:6]2.[CH3:27][N:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH3:93][CH2:94][CH2:95][CH2:96][CH2:97][CH3:98].[cH:34]1[cH:35][cH:36][c:37]([P:38]([c:39]2[cH:40][cH:41][c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[c:48]2-[c:49]2[c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[cH:56][cH:57][c:58]2[P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[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)[cH:78][cH:79]1>>[c:2]1([N:31]2[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]2)[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[C:8](=[O:11])[N:7]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19]1)[CH2:6]2Participants
7
Sources & evidence
- ORD record
- ord-d6eeac06a03f4e3f819b26a842adf283
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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