Toluene → HCID 178439304, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH:23]([OH:37])[CH2:24][CH:25]([n:27]2[c:28]([CH:35]=[O:36])[cH:29][c:30]([C:32]#[C:33][CH3:34])[cH:31]2)[O:26]1.[CH2:48]([SnH:49]([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[CH3:73][C:74]#[N:75].[CH3:76][N:77]([CH3:78])[c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1.[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Cl:38][C:39]([O:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[S:47].[N:61]([C:62]([CH3:63])([CH3:64])[C:65]#[N:66])=[N:67][C:68]([CH3:69])([CH3:70])[C:71]#[N:72]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH2:23][CH2:24][CH:25]([n:27]2[c:28]([CH:35]=[O:36])[cH:29][c:30]([C:32]#[C:33][CH3:34])[cH:31]2)[O:26]1Participants
8
Sources & evidence
- ORD record
- ord-11c6b982d0004f9fb3bc5d4e6ecf72f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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