Benzene → HCID 53910984, compound
Reaction equation
[CH2:23]([P:24]([CH2:25][CH2:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH3:35].[CH2:36]([CH3:37])[O:38][C:39]([CH:40]([CH2:41][c:42]1[cH:43][cH:44][c:45]([OH:48])[cH:46][cH:47]1)[O:49][CH2:50][CH3:51])=[O:52].[N:53]([C:54]([N:55]1[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)=[O:61])=[N:62][C:63]([N:64]1[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1)=[O:70].[c:1]1(-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:2][cH:3][c:4]([C:7](=[CH:8][CH2:9][OH:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:5][cH:6]1.[cH:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:1]1(-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:2][cH:3][c:4]([C:7](=[CH:8][CH2:9][O:10][c:45]2[cH:44][cH:43][c:42]([CH2:41][CH:40]([C:39]([O:38][CH2:36][CH3:37])=[O:52])[O:49][CH2:50][CH3:51])[cH:47][cH:46]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-dc3b4b17421c4d2cbdf5435253fcc7fb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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