HCID 178432728, compound → HCID 178435930, compound
Reaction equation
[CH:29]1([CH2:30][CH:31]2[NH:32][C:33](=[O:34])[N:35]([CH:36]([c:37]3[nH:38][c:39](-[c:40]4[cH:41][cH:42][c:43]([I:44])[cH:45][c:46]4[F:47])[c:48]([CH3:49])[n:50]3)[CH:51]([c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[CH3:58])[C:59]2=[O:60])[CH2:61][CH2:62]1.[I:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[nH:7][c:8]([CH:9]([N:10]3[C:18](=[O:19])[NH:17][CH:11]([CH2:12][CH2:13][C:14]([OH:15])=[O:16])[C:21]3=[O:22])[CH:20]([CH3:23])[CH3:24])[n:25][cH:26]2)[cH:27][cH:28]1.[NH2:63][CH:64]([C:65](=[O:66])[NH:67][CH:68]([CH:69]([CH3:70])[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[c:77]1[nH:78][c:79](-[c:83]2[c:84]([F:90])[cH:85][c:86]([I:89])[cH:87][cH:88]2)[c:80]([Cl:82])[n:81]1)[c:91]1[cH:92][cH:93][c:94]([O:97][CH:98]([CH2:99][OH:100])[CH2:101][OH:102])[cH:95][cH:96]1>>[C:21]1(=[O:22])[NH:63][CH:64]([c:91]2[cH:92][cH:93][c:94]([O:97][CH:98]([CH2:99][OH:100])[CH2:101][OH:102])[cH:95][cH:96]2)[C:65](=[O:66])[N:67]1[CH:68]([CH:69]([CH3:70])[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[c:77]1[nH:78][c:79](-[c:83]2[c:84]([F:90])[cH:85][c:86]([I:89])[cH:87][cH:88]2)[c:80]([Cl:82])[n:81]1Participants
4
Sources & evidence
- ORD record
- ord-29543ba644764067afabee0dbf64ae7a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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