Water → 4-(3-Furyl)-7-methylcoumarin
Reaction equation
[Br:1][c:2]1[cH:3][o:4][cH:5][cH:6]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17].[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[CH3:7][CH2:8][CH2:9][CH2:10][Li:11].[F:18][C:19]([F:20])([F:21])[S:22]([O:23][c:24]1[cH:25][c:26](=[O:35])[o:27][c:28]2[cH:29][c:30]([CH3:34])[cH:31][cH:32][c:33]12)(=[O:36])=[O:37].[OH2:48].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:24]2[cH:25][c:26](=[O:35])[o:27][c:28]3[cH:29][c:30]([CH3:34])[cH:31][cH:32][c:33]23)[cH:3][o:4][cH:5][cH:6]1Participants
9
Sources & evidence
- ORD record
- ord-e7cd3deeff514030b7f8cd5783025324
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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