Toluene → HCID 178458773, compound
Reaction equation
[CH3:32][CH:33]([CH3:34])[OH:35].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:1][c:2]1[c:3]([NH:21][CH:22]2[CH:23]([CH3:31])[CH:24]3[C:25]([CH3:29])([CH3:30])[CH:26]([CH2:27]2)[CH2:28]3)[cH:4][n:5][n:6]([CH2:9][C:10](=[O:11])[NH:12][CH2:13][c:14]2[c:15]([OH:20])[cH:16][n:17][cH:18][cH:19]2)[c:7]1=[O:8].[O:55]=[C:56]([O:57][CH2:58][CH3:59])[N:60]=[N:61][C:62]([O:63][CH2:64][CH3:65])=[O:66].[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1.[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[c:3]([NH:21][CH:22]2[CH:23]([CH3:31])[CH:24]3[C:25]([CH3:29])([CH3:30])[CH:26]([CH2:27]2)[CH2:28]3)[cH:4][n:5][n:6]([CH2:9][C:10](=[O:11])[NH:12][CH2:13][c:14]2[c:15]([O:20][CH:33]([CH3:32])[CH3:34])[cH:16][n:17][cH:18][cH:19]2)[c:7]1=[O:8]Participants
7
Sources & evidence
- ORD record
- ord-50d8944741b34839abe4499adc24515e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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