Water → HCID 70001844, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:31]([O-:32])=[O:33])[cH:10][c:11]([C:22]#[C:23][c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[c:12]([CH2:14][O:15][CH:16]2[O:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:13]1)=[O:34].[C:35]([O:36][C:37](=[O:38])[NH:39][c:40]1[cH:41][c:42]([CH2:43][OH:44])[c:45]([C:46]#[C:47][c:48]2[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]2)[cH:55][c:56]1[N+:57]([O-:58])=[O:59])([CH3:60])([CH3:61])[CH3:62].[CH3:69][c:70]1[cH:71][cH:72][c:73]([S:74]([OH:75])(=[O:76])=[O:77])[cH:78][cH:79]1.[Cl:81][CH2:82][Cl:83].[O:63]1[CH:64]=[CH:65][CH2:66][CH2:67][CH2:68]1.[OH2:80]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:31])[cH:10][c:11]([C:22]#[C:23][c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[c:12]([CH2:14][O:15][CH:16]2[O:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:13]1)=[O:34]Participants
7
Sources & evidence
- ORD record
- ord-4aa936a3ac7943e3b8e22d1724a583ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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