Water → HCID 67333492, compound
Reaction equation
[C-:26]#[N:27].[C-:29]#[N:30].[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[I:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([NH:12][CH2:13][c:14]3[o:15][c:16]([CH3:19])[cH:17][cH:18]3)[n:7][c:8]2[cH:9][cH:10][cH:11]1.[OH2:20].[Pd:31].[Zn+2:28].[c:32]1([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)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:51]1([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)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([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)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([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)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:2]1([C:21]#[N:22])[c:3]2[cH:4][cH:5][c:6]([NH:12][CH2:13][c:14]3[o:15][c:16]([CH3:19])[cH:17][cH:18]3)[n:7][c:8]2[cH:9][cH:10][cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-3de563475917466ba24406a5a087afd0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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