Toluene → HCID 22346170, compound
Reaction equation
[CH2:70]([O:71][CH2:72][CH3:73])[CH3:74].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH:1]([CH3:2])([CH3:3])[N:4]([CH2:5][CH2:6][NH:7][C:8](=[O:9])[n:10]1[cH:11][cH:12][n:13][cH:14]1)[CH:15]([CH3:16])[CH3:17].[CH:56]([OH:57])([CH3:58])[CH3:59].[Cl:67][CH2:68][Cl:69].[NH2:18][CH2:19][c:20]1[n:21][c:22]([NH:41][CH2:42][CH:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:23]2[n:24][cH:25][n:26]([CH:29]3[CH:30]([OH:40])[CH:31]([OH:39])[CH:32]([C:34](=[O:35])[NH:36][CH2:37][CH3:38])[O:33]3)[c:27]2[n:28]1>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH2:5][CH2:6][NH:7][C:8](=[O:9])[NH:18][CH2:19][c:20]1[n:21][c:22]([NH:41][CH2:42][CH:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:23]2[n:24][cH:25][n:26]([CH:29]3[CH:30]([OH:40])[CH:31]([OH:39])[CH:32]([C:34](=[O:35])[NH:36][CH2:37][CH3:38])[O:33]3)[c:27]2[n:28]1)[CH:15]([CH3:16])[CH3:17]Participants
7
Sources & evidence
- ORD record
- ord-f0b7e172c2b040cc84ba07385bed73ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…