Toluene → HCID 13335411, compound
Reaction equation
[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH:1]([Cl:2])([Cl:3])[Cl:4].[Cl:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13]#[N:14])[cH:10][cH:11]1.[N:41]12[CH2:42][CH2:43][CH2:44][N:45]=[C:46]1[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2.[c:15]1([S:16]([S:24][CH2:25][CH:26]([CH2:27][S:28][S:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)(=[O:29])=[O:30])[N:38]([CH3:39])[CH3:40])(=[O:31])=[O:32])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[Cl:5][c:6]1[cH:7][cH:8][c:9]([C:12]2([C:13]#[N:14])[S:24][CH2:25][CH:26]([N:38]([CH3:39])[CH3:40])[CH2:27][S:28]2)[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-0601a606fcf64a8c8dbc22aa3897e4e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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