Acetonitrile → HCID 178498790, compound
Reaction equation
[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:7]([CH2:14][CH2:15][CH2:16][CH:17]3[CH:18]([C:26](=[O:27])[O:28][CH3:29])[CH2:19][N:20]([CH2:23][C:24]#[CH:25])[CH2:21][CH2:22]3)[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][C:46]#[N:47].[F:30][c:31]1[c:32]([I:37])[cH:33][cH:34][cH:35][cH:36]1.[I-:1].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:7]([CH2:14][CH2:15][CH2:16][CH:17]3[CH:18]([C:26](=[O:27])[O:28][CH3:29])[CH2:19][N:20]([CH2:23][C:24]#[C:25][c:32]4[c:31]([F:30])[cH:36][cH:35][cH:34][cH:33]4)[CH2:21][CH2:22]3)[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1Participants
7
Sources & evidence
- ORD record
- ord-aa573535abc34814a19c816c961cdd48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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