Toluene → HCID 11983444, compound
Reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Cl:1][c:2]1[cH:3][n:4][c:5](-[c:7]2[cH:8][c:9](-[n:13]3[cH:14][n:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([CH:22]([CH3:23])[OH:24])[cH:21]4)[cH:10][cH:11][cH:12]2)[s:6]1.[N:32]12[CH2:33][CH2:34][CH2:35][N:36]=[C:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2.[c:43]1([P:44]([N:45]=[N+:46]=[N-:47])([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)=[O:54])[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[Cl:1][c:2]1[cH:3][n:4][c:5](-[c:7]2[cH:8][c:9](-[n:13]3[cH:14][n:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([CH:22]([CH3:23])[NH2:32])[cH:21]4)[cH:10][cH:11][cH:12]2)[s:6]1Participants
6
Sources & evidence
- ORD record
- ord-4643b6c896674942b0c265c1f9430e91
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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