Toluene → HCID 59565560, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N+:24](=[O:25])[O-:26])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][CH2:17][CH:18]([O:21][CH2:22][CH3:23])[CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:7]1.[CH2:27]([CH2:28][CH2:40][CH3:41])[C:29]([Sn:30])=[C:31]([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:68][CH2:69][Cl:70].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[c:2]1([CH:27]=[CH2:28])[cH:3][cH:4][c:5]([N+:24](=[O:25])[O-:26])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][CH2:17][CH:18]([O:21][CH2:22][CH3:23])[CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-d75d1ef6cfe64a108e43b0efd7fee60c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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