Ethanol → HCID 22391162, compound
Reaction equation
[Br:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([CH2:9][OH:10])[cH:8]1.[C:22](=[O:23])([O-:24])[O-:25].[CH2:28]([OH:29])[CH3:30].[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1.[K+:26].[K+:27].[c:31]1([CH3:32])[cH:33][cH:34][cH:35][cH:36][cH:37]1.[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)([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]1>>[c:2]1(-[c:16]2[cH:15][cH:14][c:13]([O:12][CH3:11])[cH:18][cH:17]2)[c:3]([NH2:4])[cH:5][cH:6][c:7]([CH2:9][OH:10])[cH:8]1Participants
8
Sources & evidence
- ORD record
- ord-3a6ae13ea467428586a960ead0c7f73c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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