HCID 178485226, compound → HCID 178485228, compound
Reaction equation
[CH3:1][NH:2][C:3](=[O:4])[C:5]12[CH:6]([OH:52])[CH:7]([OH:51])[CH:8]([n:11]3[c:12]4[n:13][c:14]([Cl:50])[n:15][c:16]([NH:20][CH2:21][c:22]5[cH:23][c:24]([C:28]#[C:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][c:35]6[n:36][n:37][n:38](-[c:40]7[cH:41][c:42]([N+:47]([O-:48])=[O:49])[c:43]([F:46])[cH:44][cH:45]7)[cH:39]6)[cH:25][cH:26][cH:27]5)[c:17]4[n:18][cH:19]3)[CH:9]1[CH2:10]2.[CH3:53][NH:54][C:55]([C:56]12[CH2:57][CH:58]1[CH:59]([n:60]1[cH:61][n:62][c:63]3[c:64]1[n:65][c:66]([Cl:67])[n:68][c:69]3[NH:70][CH2:71][c:72]1[cH:73][cH:74][cH:75][c:76]([C:77]#[C:78][CH2:79][CH2:80][CH2:81][c:82]3[n:83][n:84][n:85](-[c:86]4[cH:87][cH:88][c:89]([F:90])[c:91]([NH2:92])[cH:93]4)[cH:94]3)[cH:95]1)[CH:96]([OH:97])[CH:98]2[OH:99])=[O:100]>>[CH3:1][NH:2][C:3](=[O:4])[C:5]12[CH:6]([OH:52])[CH:7]([OH:51])[CH:8]([n:11]3[c:12]4[n:13][c:14]([Cl:50])[n:15][c:16]([NH:20][CH2:21][c:22]5[cH:23][c:24]([C:28]#[C:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][c:35]6[n:36][n:37][n:38](-[c:40]7[cH:41][c:42]([NH2:47])[c:43]([F:46])[cH:44][cH:45]7)[cH:39]6)[cH:25][cH:26][cH:27]5)[c:17]4[n:18][cH:19]3)[CH:9]1[CH2:10]2Participants
3
Sources & evidence
- ORD record
- ord-c1d423f3bc1a4432bbe50c0044c48cbf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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