1-Butanol → HCID 70654899, compound
Reaction equation
[Br:30][c:31]1[n:32][cH:33][c:34]([NH2:37])[n:35][cH:36]1.[C:24](=[O:25])([O-:26])[O-:27].[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([C:15]3([C:21]#[N:22])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[O:23]1.[Na+:28].[Na+:29].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[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)[cH:118][cH:119]1>>[c:9]1(-[c:31]2[n:32][cH:33][c:34]([NH2:37])[n:35][cH:36]2)[cH:10][cH:11][c:12]([C:15]2([C:21]#[N:22])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:13][cH:14]1Participants
7
Sources & evidence
- ORD record
- ord-8a8c922d320841118414ad79519cea3a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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