Dichloromethane → HCID 178448475, compound
Reaction equation
[CH2:35]([CH:36]([CH3:37])[CH3:38])[N:39]1[CH:40]([CH2:45][NH2:46])[CH2:41][CH2:42][CH2:43][CH2:44]1.[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[Cl:83][CH2:84][Cl:85].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:30](=[O:31])[OH:32])[n:11][c:12]([N:14]3[CH2:15][CH2:16][N:17]([c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[C:26]([F:27])([F:28])[F:29])[CH2:18][CH2:19]3)[nH:13]2)[cH:7][cH:8]1)([F:33])[F:34].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][P+:56]([N:57]([CH3:58])[CH3:59])([N:60]([CH3:61])[CH3:62])[N:63]([CH3:64])[CH3:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:30](=[O:32])[NH:46][CH2:45][CH:40]3[N:39]([CH2:35][CH:36]([CH3:37])[CH3:38])[CH2:44][CH2:43][CH2:42][CH2:41]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][N:17]([c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[C:26]([F:27])([F:28])[F:29])[CH2:18][CH2:19]3)[nH:13]2)[cH:7][cH:8]1)([F:33])[F:34]Participants
7
Sources & evidence
- ORD record
- ord-761dc4c25b594972926e3e901e2b38dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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