Acetonitrile → HCID 178514706, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH:10]([OH:11])[c:12]1[cH:13][cH:14][c:15]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:16]([NH:18][CH:19]=[O:20])[cH:17]1)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][C:38]#[CH:39].[CH3:52][C:53]#[N:54].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[I-:51].[I:40][c:41]1[cH:42][c:43]([S:47](=[O:48])(=[O:49])[NH2:50])[cH:44][cH:45][cH:46]1.[Pd:62]([Cl:63])[Cl:64].[c:65]1([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)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([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)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH:10]([OH:11])[c:12]1[cH:13][cH:14][c:15]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:16]([NH:18][CH:19]=[O:20])[cH:17]1)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][C:38]#[C:39][c:41]1[cH:42][c:43]([S:47](=[O:48])(=[O:49])[NH2:50])[cH:44][cH:45][cH:46]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-11412f48042c4cf091cbec00930b3095
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…