Toluene → HCID 57949407, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[N:6]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:17][cH:18]1)[CH2:5]2.[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[CH3:92][CH2:93][CH2:94][CH2:95][CH2:96][CH3:97].[cH:33]1[cH:34][cH:35][c:36]([P:37]([c:38]2[cH:39][cH:40][c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[c:47]2-[c:48]2[c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[cH:55][cH:56][c:57]2[P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78]1>>[c:2]1([N:30]2[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]2)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[N:6]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:17][cH:18]1)[CH2:5]2Participants
7
Sources & evidence
- ORD record
- ord-08538ee3c5924760a8a65b2c89fd107d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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