Toluene → HCID 10929715, compound
Reaction equation
[CH2:27]([CH:28]([CH3:29])[CH3:30])[c:31]1[cH:32][cH:33][c:34]([CH:37]([CH2:38][CH2:39][CH2:40][CH3:41])[OH:42])[cH:35][cH:36]1.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:62]=[C:63]([O:64][CH2:65][CH3:66])[N:67]=[N:68][C:69]([O:70][CH2:71][CH3:72])=[O:73].[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1)[CH:37]([c:34]1[cH:33][cH:32][c:31]([CH2:27][CH:28]([CH3:29])[CH3:30])[cH:36][cH:35]1)[CH2:38][CH2:39][CH2:40][CH3:41]Participants
7
Sources & evidence
- ORD record
- ord-61a17318d3704281bc621c62f132a747
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…