Acetonitrile → HCID 178505067, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:13][CH2:14]1)[CH2:24][CH:25]([CH2:26][O:27][c:28]1[cH:29][c:30]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[c:31]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:32][cH:33]1)[OH:47].[CH2:58]([N:59]=[C:60]=[N:61][CH2:62][CH2:63][CH2:64][N:65]([CH3:66])[CH3:67])[CH3:68].[CH2:69]([c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]1[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]1.[CH3:85][C:86]#[N:87].[CH3:88][CH2:89][N:90]([CH2:91][CH3:92])[CH2:93][CH3:94].[Cl:82][CH2:83][Cl:84].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[N:79]3[CH2:78][CH2:77][CH:76]([CH2:69][c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[CH2:81][CH2:80]3)[cH:22][cH:23]2)[CH2:13][CH2:14]1)[CH2:24][CH:25]([CH2:26][O:27][c:28]1[cH:29][c:30]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[c:31]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:32][cH:33]1)[OH:47]Participants
8
Sources & evidence
- ORD record
- ord-88da5d2f42704d37af7140782820f0ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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