Toluene → 5-Mercapto-5-(1-trityl-1H-imidazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Reaction equation
[CH3:38][O:39][c:40]1[cH:41][cH:42][c:43]([P:44]2(=[S:45])[S:46][P:48](=[S:49])([c:50]3[cH:51][cH:52][c:53]([O:54][CH3:55])[cH:56][cH:57]3)[S:47]2)[cH:58][cH:59]1.[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[OH:1][C:2]1([c:14]2[n:15][cH:16][n:17]([C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:18]2)[c:3]2[cH:4][cH:5][c:6]([C:12]#[N:13])[cH:7][c:8]2[CH2:9][CH2:10][CH2:11]1>>[C:2]1([c:14]2[n:15][cH:16][n:17]([C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:18]2)([SH:47])[c:3]2[cH:4][cH:5][c:6]([C:12]#[N:13])[cH:7][c:8]2[CH2:9][CH2:10][CH2:11]1Participants
4
Sources & evidence
- ORD record
- ord-07b12475a46a4f35abbd738cc96102e0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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