Water → HCID 67309639, compound
Reaction equation
[C-:31]#[N:32].[C-:34]#[N:35].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:22])[n:8][c:9](-[c:11]2[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]([Br:21])[cH:20]2)[s:10]1.[CH3:24][N:25]1[CH2:26][CH2:27][CH2:28][C:29]1=[O:30].[OH2:23].[Zn+2:33].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([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)([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]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:22])[n:8][c:9](-[c:11]2[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]([C:24]#[N:25])[cH:20]2)[s:10]1Participants
7
Sources & evidence
- ORD record
- ord-2539e6836e0c4175bf89ab74ef7173a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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