Ethanol → HCID 68489655, compound
Reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:41][CH2:42][OH:43].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:16])[n:12][c:13]([Br:15])[s:14]2)[cH:17][cH:18]1.[K+:31].[K+:32].[OH2:40].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([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)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[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)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1.[nH:19]1[n:20][cH:21][cH:22][c:23]1[B:24]([OH:25])[OH:26]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:16])[n:12][c:13](-[c:23]3[nH:19][n:20][cH:21][cH:22]3)[s:14]2)[cH:17][cH:18]1Participants
9
Sources & evidence
- ORD record
- ord-ee90bcdb9a12414899372c5ec1f995e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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