Toluene → HCID 57754432, compound
Reaction equation
[CH2:57]([N:58]([CH2:59][CH3:60])[CH2:61][CH3:62])[CH3:63].[CH3:31][O:32][c:33]1[cH:34][cH:35][c:36]([P:37]2(=[S:40])[S:38][P:39]([c:41]3[cH:42][cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48]3)(=[S:49])[S:50]2)[cH:51][cH:52]1.[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[Cl:53][CH2:54][C:55]#[N:56].[F:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]4[c:19]([cH:30]3)[CH:20]([OH:29])[c:21]3[c:22]([n:23][cH:24][cH:25][cH:26]3)[CH2:27][O:28]4)[n:8][c:9]2[cH:10][c:11]1[F:12]>>[F:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]4[c:19]([cH:30]3)[CH:20]([S:40][CH2:54][C:55]#[N:56])[c:21]3[c:22]([n:23][cH:24][cH:25][cH:26]3)[CH2:27][O:28]4)[n:8][c:9]2[cH:10][c:11]1[F:12]Participants
6
Sources & evidence
- ORD record
- ord-7b3decfbeaa142b3bd50cd55988ee73a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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