Water → 2-[5-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-7-nitro-1H-indole
Reaction equation
[CH2:34]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:46]1)[S:41][CH:42]([CH2:43][NH:44][C:45](=[O:35])[c:47]1[nH:48][c:49]2[c:50]([N+:61](=[O:62])[O-:63])[cH:51][c:52]([O:56][CH2:57][CH2:58][O:59][CH3:60])[cH:53][c:54]2[cH:55]1)[CH:64]([O:65][CH3:66])[O:67][CH3:68].[Cl:77][CH2:78][Cl:79].[F:21][C:22]([F:23])([F:24])[C:25]([O:26][C:27](=[O:28])[C:29]([F:30])([F:31])[F:32])=[O:33].[OH2:80].[c:1]1([P:2](=[O:3])([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1.[c:69]1([S:70][CH3:71])[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[S:41]1[CH:42]([CH:64]([O:65][CH3:66])[O:67][CH3:68])[CH2:43][N:44]=[C:45]1[c:47]1[nH:48][c:49]2[c:50]([N+:61](=[O:62])[O-:63])[cH:51][c:52]([O:56][CH2:57][CH2:58][O:59][CH3:60])[cH:53][c:54]2[cH:55]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-b93a39068482437f9edb10c40a4053de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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