Methanol → HCID 67375964, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH2:4][n:5]2[c:6](=[O:15])[n:7]([CH3:14])[c:8]3[c:9]2[cH:10][cH:11][cH:12][cH:13]3)[cH:16][c:17]([O:24][CH3:25])[c:18]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:19]1.[C:43](=[O:44])([O-:45])[O-:46].[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O:33][c:34]1[n:35][cH:36][cH:37][cH:38][c:39]1[B:40]([OH:41])[OH:42].[CH3:49][OH:50].[Cl:51][CH2:52][Cl:53].[Na+:47].[Na+:48].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:39]2[c:34]([O:33][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:35][cH:36][cH:37][cH:38]2)[c:3]([CH2:4][n:5]2[c:6](=[O:15])[n:7]([CH3:14])[c:8]3[c:9]2[cH:10][cH:11][cH:12][cH:13]3)[cH:16][c:17]([O:24][CH3:25])[c:18]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:19]1Participants
8
Sources & evidence
- ORD record
- ord-8b17a4eae4524e80889a8846bf2e708d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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