Methanol → HCID 69299386, compound
Reaction equation
[CH3:17][O:18][C:19]([CH2:20][CH2:21][C:22](=[O:23])[c:24]1[cH:25][n:26]([CH2:34][c:35]2[cH:36][n:37][c:38]([Cl:41])[cH:39][cH:40]2)[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][c:32]12)=[O:42].[CH3:49][OH:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[Pd:58].[c:116]1([P:117]([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131][cH:132][cH:133][cH:134]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1.[cH:1]1[cH:2][cH:3][c:4]([B:14]([OH:15])[OH:16])[c:5]2[o:6][c:7]3[c:8]([c:9]12)[cH:10][cH:11][cH:12][cH:13]3>>[cH:1]1[cH:2][cH:3][c:4](-[c:38]2[n:37][cH:36][c:35]([CH2:34][n:26]3[cH:25][c:24]([C:22]([CH2:21][CH2:20][C:19]([O:18][CH3:17])=[O:42])=[O:23])[c:32]4[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31]4)[cH:40][cH:39]2)[c:5]2[o:6][c:7]3[c:8]([c:9]12)[cH:10][cH:11][cH:12][cH:13]3Participants
9
Sources & evidence
- ORD record
- ord-773539892a45443f9ea162a30be17647
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…