Ethanol → HCID 57905774, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:13]#[C:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][c:20]2[c:21]([CH2:33][CH2:34][C:35](=[O:36])[OH:37])[c:22]([O:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29])[cH:30][cH:31][cH:32]2)[cH:5][c:6]([C:8]([N:9]([CH3:10])[CH3:11])=[O:12])[cH:7]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][CH2:55][OH:56].[K+:52].[K+:53].[OH:38][c:39]1[cH:40][cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][cH:44]1.[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([OH:38])[cH:44][cH:43]2)[cH:3][c:4]([C:13]#[C:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][c:20]2[c:21]([CH2:33][CH2:34][C:35](=[O:36])[OH:37])[c:22]([O:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29])[cH:30][cH:31][cH:32]2)[cH:5][c:6]([C:8]([N:9]([CH3:10])[CH3:11])=[O:12])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-5fa332caee6b48e2b5857dba3b34f00d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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