Ethanol → HCID 178431570, compound
Reaction equation
[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]2)[O:42]1.[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[CH3:60][CH2:61][OH:62].[Cl:1][c:2]1[n:3][c:4]([N:20]2[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]2)[cH:5][c:6]([CH2:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]2)[n:7]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:63].[Pd:64]([Cl:65])[Cl:66].[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]2)[n:3][c:4]([N:20]2[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]2)[cH:5][c:6]([CH2:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]2)[n:7]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-6ad56ecc1e724c74a45fa6893078e54d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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