HCID 135885194, compound → HCID 136383514, compound
Reaction equation
[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][C:9]2([CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[c:16]3[c:17]([cH:18][cH:19][cH:20][cH:21]3)[C:22]([OH:23])=[C:24]([C:25]3=[N:41][S:38](=[O:39])(=[O:40])[c:37]4[c:27]([cH:28][cH:29][c:30]([NH:31][S:32]([CH3:33])(=[O:34])=[O:35])[cH:36]4)[NH:26]3)[C:42]2=[O:43])[cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH2:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[O:59][c:60]1[c:61]([CH2:62][NH:63][C:64]2([CH2:93][CH2:94][C:95]([CH3:96])([CH3:97])[CH3:98])[C:65](=[O:92])[C:66]([C:75]3=[N:76][S:77](=[O:90])(=[O:91])[c:78]4[c:79]([cH:81][cH:82][c:83]([NH:85][S:86](=[O:87])(=[O:88])[CH3:89])[cH:84]4)[NH:80]3)=[C:67]([OH:74])[c:68]3[cH:69][cH:70][cH:71][cH:72][c:73]32)[cH:99][cH:100][cH:101][cH:102]1>>[OH:59][c:60]1[c:61]([CH2:62][NH:63][C:64]2([CH2:93][CH2:94][C:95]([CH3:96])([CH3:97])[CH3:98])[C:65](=[O:92])[C:66]([C:75]3=[N:76][S:77](=[O:90])(=[O:91])[c:78]4[c:79]([cH:81][cH:82][c:83]([NH:85][S:86](=[O:87])(=[O:88])[CH3:89])[cH:84]4)[NH:80]3)=[C:67]([OH:74])[c:68]3[cH:69][cH:70][cH:71][cH:72][c:73]32)[cH:99][cH:100][cH:101][cH:102]1Participants
3
Sources & evidence
- ORD record
- ord-fac9f6f747cd4f4eaebc00129b547a50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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