O-Xylene → HCID 22503313, compound
Reaction equation
[Br:34][c:35]1[n:36][c:37]([N:45]2[CH2:46][CH2:47][N:48]([CH2:51][CH3:52])[CH2:49][CH2:50]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[cH:44]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([Sn:21]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH2:32][CH3:33])[cH:19][cH:20]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[c:53]1([CH3:54])[c:55]([CH3:56])[cH:57][cH:58][cH:59][cH:60]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18](-[c:35]2[n:36][c:37]([N:45]3[CH2:46][CH2:47][N:48]([CH2:51][CH3:52])[CH2:49][CH2:50]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[cH:44]2)[cH:19][cH:20]1Participants
5
Sources & evidence
- ORD record
- ord-14c2f84a8cae4e7aa9ec800368756be5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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