Methanol → HCID 86755065, compound
Reaction equation
[CH3:18][O:19][C:20](=[O:21])[C:22]12[CH2:23][N:24]([CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:25][CH:26]1[C:27]([I:38])=[CH:28][CH2:29][C:30]2([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH3:37].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[CH3:46][OH:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:12].[Na+:13].[O-:14][C:15](=[O:16])[O-:17].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([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]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:27]2=[CH:28][CH2:29][C:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)([CH3:37])[C:22]3([C:20]([O:19][CH3:18])=[O:21])[CH2:23][N:24]([CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[CH2:25][CH:26]32)[cH:7][cH:8]1Participants
8
Sources & evidence
- ORD record
- ord-24fb6585bbe54b289d57fa46d2f09e81
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…