Ethanol → HCID 178508667, compound
Reaction equation
[BH:17]([OH:18])[OH:19].[C:34](=[O:35])([OH:36])[O-:37].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[CH3:45][CH2:46][OH:47].[F:20][C:21]([c:22]1[cH:23][cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[I:1][c:2]1[c:3]2[c:4]([c:5]3[c:6]([NH2:13])[n:7][c:8]([NH2:12])[n:9][c:10]3[cH:11]1)[cH:14][cH:15][nH:16]2.[Na+:38].[Pd:48].[c:106]1([P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121][cH:122][cH:123][cH:124]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[c:2]1(-[c:24]2[cH:23][c:22]([C:21]([F:20])([F:32])[F:33])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]2)[c:3]2[c:4]([c:5]3[c:6]([NH2:13])[n:7][c:8]([NH2:12])[n:9][c:10]3[cH:11]1)[cH:14][cH:15][nH:16]2Participants
10
Sources & evidence
- ORD record
- ord-21d9ad884ab14051b322eda356d9b6ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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