Benzene → HCID 178446897, compound
Reaction equation
[CH3:1][C:2]1([CH3:28])[CH:3]2[CH2:4][CH2:5][C:6]3=[C:20]([CH2:19][CH2:18][C:17]4([CH3:27])[C:7]3=[CH:8][CH2:9][CH:10]4[CH:11]([CH2:12][CH2:13][CH2:14][OH:15])[CH3:16])[C:21]2([CH3:26])[CH2:22][CH2:23][CH:24]1[OH:25].[Ru:35]([Cl:36])[Cl:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH3:1][C:2]1([CH3:28])[CH:3]2[CH2:4][CH2:5][C:6]3=[C:20]([CH2:19][CH2:18][C:17]4([CH3:27])[C:7]3=[CH:8][CH2:9][CH:10]4[CH:11]([CH2:12][CH2:13][CH:14]=[O:15])[CH3:16])[C:21]2([CH3:26])[CH2:22][CH2:23][CH:24]1[OH:25]Participants
5
Sources & evidence
- ORD record
- ord-1c99b3c526f2483187e48cd53f669f2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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