Water → HCID 23130797, compound
Reaction equation
[C-:37]#[N:38].[C-:40]#[N:41].[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][c:16]([Br:20])[cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:21][cH:22][cH:23][n:24]1.[OH2:31].[Zn+2:39].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([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)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][c:16]([C:32]#[N:33])[cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:21][cH:22][cH:23][n:24]1Participants
8
Sources & evidence
- ORD record
- ord-cc4fcad47f2941e38cc62dcd18d3e86d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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