HCID 19019443, compound → HCID 54167606, compound
Reaction equation
[CH3:104][O:105][c:106]1[c:107]([CH2:108][OH:109])[cH:110][c:111]([CH:114]=[CH:115][c:116]2[s:117][c:118]3[c:119]([n:120]2)[cH:121][c:122]([F:125])[cH:123][cH:124]3)[cH:112][cH:113]1.[Cl:84][c:85]1[cH:86][cH:87][c:88]2[s:89][c:90]([CH:91]=[CH:92][c:93]3[cH:94][c:95]([CH2:99][OH:100])[cH:96][cH:97][cH:98]3)[n:101][c:102]2[cH:103]1.[F:1][c:2]1[cH:3][cH:4][c:5]2[s:6][c:7]([CH:8]=[CH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16][OH:17])[n:18][c:19]2[cH:20]1.[F:45][c:46]1[cH:47][cH:48][c:49]2[s:50][c:51]([CH:52]=[CH:53][c:54]3[cH:55][cH:56][c:57]([CH2:58][OH:59])[cH:60][cH:61]3)[n:62][c:63]2[cH:64]1.[OH:21][CH2:22][CH:23]1[CH2:24][CH2:25][c:26]2[c:27]([cH:28][c:29]([O:30][CH2:31][c:32]3[s:33][c:34]4[cH:35][cH:36][c:37]([F:38])[cH:39][c:40]4[n:41]3)[cH:42][cH:43]2)[O:44]1.[o:65]1[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[cH:72][c:73]1[CH:74]=[CH:75][c:76]1[cH:77][c:78]([CH2:82][OH:83])[cH:79][cH:80][cH:81]1>>[cH:106]1[c:107]([CH2:108][OH:109])[cH:110][c:111]([CH:114]=[CH:115][c:116]2[s:117][c:118]3[c:119]([n:120]2)[cH:121][c:122]([F:125])[cH:123][cH:124]3)[cH:112][cH:113]1Participants
7
Sources & evidence
- ORD record
- ord-b567e125f6c048ee93f4c92c5abf28a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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