Benzene → HCID 178421305, compound
Reaction equation
[Br-:47].[Br:12][CH:13]1[CH:14]([OH:34])[CH2:15][CH:16]2[CH2:17][CH2:18][CH:19]3[CH:20]4[CH2:21][CH2:22][CH:23]([C:32]#[N:33])[C:24]4([CH3:25])[CH2:26][CH2:27][CH:28]3[C:29]2([CH3:31])[CH2:30]1.[CH3:54][C:55]([N:56]([CH3:57])[CH3:58])=[O:59].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Ca+2:41].[Li+:46].[O-:42][C:43](=[O:44])[O-:45].[O:35]1[CH:36]=[CH:37][CH2:38][CH2:39][CH2:40]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH:13]1=[CH:30][C:29]2([CH3:31])[CH:16]([CH2:15][CH:14]1[OH:34])[CH2:17][CH2:18][CH:19]1[CH:20]3[CH2:21][CH2:22][CH:23]([C:32]#[N:33])[C:24]3([CH3:25])[CH2:26][CH2:27][CH:28]12Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-df125c89c11b4529b1490c3e0a5396c3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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