Water → HCID 67247901, compound
Reaction equation
[CH2:22]1[O:23][CH2:24][CH2:25][CH2:26]1.[CH3:121][CH2:122][O:123][C:124](=[O:125])[CH3:126].[CH3:27][C:28]([CH3:29])([C:30]#[CH:31])[OH:32].[CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cu:118]([I:119])[I:120].[I:1][c:2]1[cH:3][c:4]2[c:14]([cH:15][cH:16]1)[O:13][c:7]1[c:6]([cH:11][c:10]([Br:12])[cH:9][n:8]1)[C:5]21[N:17]=[C:18]([NH2:21])[O:19][CH2:20]1.[OH2:40].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([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)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([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)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([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)[cH:116][cH:117]1>>[c:2]1([C:31]#[C:30][C:28]([CH3:27])([CH3:29])[OH:32])[cH:3][c:4]2[c:14]([cH:15][cH:16]1)[O:13][c:7]1[c:6]([cH:11][c:10]([Br:12])[cH:9][n:8]1)[C:5]21[N:17]=[C:18]([NH2:21])[O:19][CH2:20]1Participants
9
Sources & evidence
- ORD record
- ord-2147930267e84ed3bceb8956da3a8a58
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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