Benzene → HCID 21505569, compound
Reaction equation
[C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])(=[O:40])[Cl:41].[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:27]1)[CH:8]([N:17]1[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][CH2:25][OH:26])[CH2:21][CH2:22]1)[CH2:9][c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2.[CH:48]([Cl:49])([Cl:50])[Cl:51].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:27]1)[CH:8]([N:17]1[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][CH2:25][O:26][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])=[O:40])[CH2:21][CH2:22]1)[CH2:9][c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2Participants
5
Sources & evidence
- ORD record
- ord-c2d7ce7a644f46a593797e4855bde53a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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