Toluene → HCID 22036530, compound
Reaction equation
[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[N:16]1[CH2:17][CH:18]([CH3:23])[NH:19][CH:20]([CH3:22])[CH2:21]1.[CH3:24][CH2:25][CH2:26][CH2:27][N:28]([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:1][c:2]1[n:3][cH:4][cH:5][n:6][c:7]1[Cl:8].[O:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([N:19]2[CH:18]([CH3:23])[CH2:17][N:16]([CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[CH2:21][CH:20]2[CH3:22])[n:3][cH:4][cH:5][n:6][c:7]1[Cl:8]Participants
7
Sources & evidence
- ORD record
- ord-2f2531e7428c47a9b5eddd31d198d9ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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