Ethanol → HCID 18357511, compound
Reaction equation
[Br:13][c:14]1[c:15]([CH:16]=[O:17])[cH:18][cH:19][cH:20][cH:21]1.[CH2:28]([OH:29])[CH3:30].[CH2:38]([Cl:39])[Cl:40].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[Pd:41].[c:31]1([CH3:32])[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([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)[cH:113][cH:114][cH:115][cH:116][cH:117]1.[o:1]1[c:2]2[c:3]([cH:4][c:5]1[B:6]([OH:7])[OH:8])[cH:9][cH:10][cH:11][cH:12]2>>[o:1]1[c:2]2[c:3]([cH:4][c:5]1-[c:14]1[c:15]([CH:16]=[O:17])[cH:18][cH:19][cH:20][cH:21]1)[cH:9][cH:10][cH:11][cH:12]2Participants
10
Sources & evidence
- ORD record
- ord-61917b824a2b46ddaaabeaa225cbccc7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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