Acetonitrile → HCID 68905611, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](-[c:10]3[n:11][c:12]([NH:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[n:13][cH:14][c:15]3[Cl:16])[cH:9]2)[cH:28]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:98][C:99]#[N:100].[Cs+:40].[Cs+:41].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43].[n:29]1[c:30]([NH2:35])[cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([NH:35][c:30]2[n:29][cH:34][cH:33][cH:32][cH:31]2)[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](-[c:10]3[n:11][c:12]([NH:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[n:13][cH:14][c:15]3[Cl:16])[cH:9]2)[cH:28]1Participants
8
Sources & evidence
- ORD record
- ord-553ce12e61fc4a4e8faf2da430d2a43e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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