Toluene → HCID 14839581, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH2:21][OH:22])[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH2:70]([Cl:71])[Cl:72].[CH3:73][CH2:74][CH2:75][CH2:76][CH2:77][CH3:78].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:23]=[C:24]1[NH:25][C:26](=[O:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH2:21][N:25]2[C:24](=[O:23])[c:33]3[c:28]([cH:29][cH:30][cH:31][cH:32]3)[C:26]2=[O:27])[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
9
Sources & evidence
- ORD record
- ord-d7224f478c514d48a67bb8b9cd7adf2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…