Toluene → HCID 66847095, compound
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[s:6]1.[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH:22]2[CH2:23][NH:24][CH2:25][CH:26]2[CH2:27]1.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[cH:28]1[cH:29][cH:30][c:31]([P:32]([c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[c:42]2-[c:43]2[c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[cH:50][cH:51][c:52]2[P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[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)[cH:72][cH:73]1>>[c:2]1([N:24]2[CH2:23][CH:22]3[CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:27][CH:26]3[CH2:25]2)[cH:3][n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[s:6]1Participants
6
Sources & evidence
- ORD record
- ord-b85aa843e0a04e5bb83d6df83962d73a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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