Water → HCID 87200586, compound
Reaction equation
[CH3:68][C:69]([CH3:70])([c:71]1[n:72][c:73]([C:77]([F:78])([F:79])[F:80])[cH:74][cH:75][cH:76]1)[NH2:81].[Cl:82][CH2:83][Cl:84].[O:42]=[C:43]1[C:44](=[O:45])[CH2:46][CH:47]([c:48]2[cH:49][cH:50][cH:51][c:52]([O:53][C:54]([F:55])([F:56])[F:57])[cH:58]2)[N:59]1[c:60]1[cH:61][cH:62][c:63]([C:64]#[N:65])[cH:66][cH:67]1.[O:8]=[C:9]1[N:10]([c:34]2[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41]2)[CH:11]([c:23]2[cH:24][c:25]([O:29][C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28]2)[CH:12]=[C:13]1[NH:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH3:22].[OH2:85].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[O:8]=[C:9]1[N:10]([c:34]2[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41]2)[CH:11]([c:23]2[cH:24][c:25]([O:29][C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28]2)[CH:12]=[C:13]1[NH:81][C:69]([CH3:68])([CH3:70])[c:71]1[n:72][c:73]([C:77]([F:78])([F:79])[F:80])[cH:74][cH:75][cH:76]1Participants
7
Sources & evidence
- ORD record
- ord-949712a013054a4d9102e9bfa2394ae8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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