Ethanol → HCID 50940070, compound
Reaction equation
[Br:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7]1[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[cH:9][cH:10]2.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][OH:46].[K+:22].[K+:23].[O-:24][C:25]([O-:26])=[O:27].[OH:28][B:29]([OH:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Pd:47].[c:105]1([P:106]([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][cH:121][cH:122][cH:123]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[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:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[n:3][cH:4][cH:5][c:6]2[c:7]1[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[cH:9][cH:10]2Participants
9
Sources & evidence
- ORD record
- ord-a1ea888363534999a0259b5105be25e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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