Toluene → HCID 10053717, compound
Reaction equation
[CH2:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[N:39]=[C:40]=[O:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:1]1(-[c:7]2[n:8][c:9]([S:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][NH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[nH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([S:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][N:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[C:40]([NH:39][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])=[O:41])[nH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-656835a4c2034978b637457c57f9ad2e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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