Dichloromethane → 2-Butan-2-yl-10-chloro-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one
Reaction equation
[Br:1][c:2]1[c:3]([N:9]([CH2:10][CH2:11][C:12](=[O:13])[NH:14][CH3:15])[CH:16]([CH3:17])[CH2:18][CH3:19])[n:4][c:5]([Cl:8])[n:6][cH:7]1.[C:20](=[O:21])([O-:22])[O-:23].[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH3:26][CH2:27][CH2:28][CH:29]([CH3:30])[CH3:31].[Cl:38][CH2:39][Cl:40].[Cs+:24].[Cs+:25].[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Pd:41].[Pd:42]>>[c:2]12[c:3]([n:4][c:5]([Cl:8])[n:6][cH:7]1)[N:9]([CH:16]([CH3:17])[CH2:18][CH3:19])[CH2:10][CH2:11][C:12](=[O:13])[N:14]2[CH3:15]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e05260b2a5004b64a59a0433b583b619
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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