Water → HCID 23130469, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][O:10][CH2:11][CH2:12][CH3:13])[cH:6][cH:7]1.[C-:22]#[N:23].[C-:25]#[N:26].[CH3:104][CH2:105][O:106][C:107](=[O:108])[CH3:109].[CH3:14][N:15]1[CH2:16][CH2:17][CH2:18][C:19]1=[O:20].[OH2:21].[Zn+2:24].[cH:27]1[cH:28][cH:29][c:30]([P:31]([Pd:32]([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103]1>>[c:2]1([C:14]#[N:15])[cH:3][cH:4][c:5]([CH2:8][CH2:9][O:10][CH2:11][CH2:12][CH3:13])[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-198ea9e8c4ff4ce2a66757040c461980
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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