Water → HCID 58909942, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([O:7][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[CH2:13][C:14](=[O:15])[c:16]2[cH:17][c:18]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:19]([OH:26])[c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]2)[cH:31][c:32]([O:39][CH2:40][CH3:41])[c:33]([C:35](=[O:36])[NH:37][CH3:38])[cH:34]1.[C:52](#[N:53])[CH2:54][CH3:55].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cu:56]([I:57])[I:58].[Na:42][C:43]#[N:44].[OH2:51].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:2]1([C:43]#[N:44])[c:3]([CH2:4][N:5]([C:6]([O:7][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[CH2:13][C:14](=[O:15])[c:16]2[cH:17][c:18]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:19]([OH:26])[c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]2)[cH:31][c:32]([O:39][CH2:40][CH3:41])[c:33]([C:35](=[O:36])[NH:37][CH3:38])[cH:34]1Participants
8
Sources & evidence
- ORD record
- ord-623819159cfb4e7b989527917ac9f797
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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