Ethanol → HCID 44216068, compound
Reaction equation
[Br:31][c:32]1[c:33]([CH2:41][CH3:42])[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]1.[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:129][CH2:130][OH:131].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([O:13][CH2:14][CH2:15][NH:16][CH:17]([CH:18]([OH:19])[c:20]3[cH:21][cH:22][c:23]([OH:26])[cH:24][cH:25]3)[CH3:27])[cH:28][cH:29]2)[O:30]1.[Cs+:44].[F-:43].[OH2:128].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[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)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:9]1(-[c:32]2[c:33]([CH2:41][CH3:42])[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]2)[cH:10][cH:11][c:12]([O:13][CH2:14][CH2:15][NH:16][CH:17]([CH:18]([OH:19])[c:20]2[cH:21][cH:22][c:23]([OH:26])[cH:24][cH:25]2)[CH3:27])[cH:28][cH:29]1Participants
9
Sources & evidence
- ORD record
- ord-7c59d0d72c344139ba3ec2ca963fffb2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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