Toluene → HCID 136365366, compound
Reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:32][C:33](=[O:34])[O:35][CH:36]([CH3:37])[CH3:38].[NH2:8][CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16](-[c:25]3[c:26]([OH:31])[cH:27][cH:28][cH:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([CH3:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1>>[NH:8]([CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16](-[c:25]3[c:26]([OH:31])[cH:27][cH:28][cH:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([CH3:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1)[C:33](=[O:34])[O:35][CH:36]([CH3:37])[CH3:38]Participants
6
Sources & evidence
- ORD record
- ord-62e3f39ea131452b858ef1896977b9c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…