Toluene → HCID 178464987, compound
Reaction equation
[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:66]([OH:67])([CH3:68])[CH3:69].[Cl:70][CH2:71][Cl:72].[N:43]1([CH2:49][CH2:50][NH:51][C:52](=[O:53])[n:54]2[cH:55][cH:56][n:57][cH:58]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[NH2:1][CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:28][CH2:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([C:23](=[O:24])[NH:25][CH2:26][CH3:27])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1>>[NH:1]([CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:28][CH2:29][CH:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([C:23](=[O:24])[NH:25][CH2:26][CH3:27])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1)[C:52]([NH:51][CH2:50][CH2:49][N:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1)=[O:53]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-c56b71b486014d95ab710d17d3de8ffe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…