Ethanol → HCID 178431497, compound
Reaction equation
[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:53][CH2:54][OH:55].[CH:1]1([NH:4][C:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([B:13]([OH:14])[OH:15])[cH:11][cH:12]2)=[O:16])[CH2:2][CH2:3]1.[Cl:17][c:18]1[n:19][c:20]([N:33]2[CH:34]([CH3:39])[CH2:35][O:36][CH2:37][CH2:38]2)[cH:21][c:22]([C:24]([CH3:25])([CH3:26])[S:27](=[O:28])(=[O:29])[CH:30]2[CH2:31][CH2:32]2)[n:23]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:52].[Pd:61]([Cl:62])[Cl:63].[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[CH:1]1([NH:4][C:5]([NH:6][c:7]2[cH:8][cH:9][c:10](-[c:18]3[n:19][c:20]([N:33]4[CH:34]([CH3:39])[CH2:35][O:36][CH2:37][CH2:38]4)[cH:21][c:22]([C:24]([CH3:25])([CH3:26])[S:27](=[O:28])(=[O:29])[CH:30]4[CH2:31][CH2:32]4)[n:23]3)[cH:11][cH:12]2)=[O:16])[CH2:2][CH2:3]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-7f592d1413f84648ac19062774fe2c02
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…