Ethanol → HCID 59334481, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH:12]2[CH:13]([CH2:15][NH:16][C:17]([CH3:18])=[O:19])[CH2:14]2)[c:4]2[cH:5][n:6]([CH3:11])[n:7][c:8]2[cH:9][cH:10]1.[CH3:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[CH3:35][CH2:36][OH:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([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)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([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)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1.[n:20]1[cH:21][c:22]([B:26]([OH:27])[OH:28])[cH:23][cH:24][cH:25]1>>[c:2]1(-[c:22]2[cH:21][n:20][cH:25][cH:24][cH:23]2)[c:3]([CH:12]2[CH:13]([CH2:15][NH:16][C:17]([CH3:18])=[O:19])[CH2:14]2)[c:4]2[cH:5][n:6]([CH3:11])[n:7][c:8]2[cH:9][cH:10]1Participants
9
Sources & evidence
- ORD record
- ord-14adff3fb2964034b4d7eccd152fdfe2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…