Toluene → HCID 86653127, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][O:9][N:10]=[C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[n:19][n:20][n:21][n:22]2[CH3:23])[n:7]1.[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29]([NH:30][O:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])=[O:37].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[cH:38]1[cH:39][cH:40][c:41]([P:42]([c:43]2[cH:44][cH:45][c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[c:52]2-[c:53]2[c:54]3[c:55]([cH:56][cH:57][cH:58][cH:59]3)[cH:60][cH:61][c:62]2[P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83]1>>[c:2]1([N:30]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:37])[O:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:3][cH:4][cH:5][c:6]([CH2:8][O:9][N:10]=[C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[n:19][n:20][n:21][n:22]2[CH3:23])[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-b4cd2d9269014673a2bfe7f7d974470c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…