HCID 466689, compound → HCID 18925256, compound
Reaction equation
[CH2:1]([CH:2]=[CH:3][CH3:4])[n:5]1[c:6](=[O:21])[nH:7][c:8](=[O:20])[c:9]([CH2:18][CH3:19])[c:10]1[S:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH2:22]([n:23]1[c:24]([S:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]([CH2:33][CH3:34])[c:35](=[O:36])[nH:37][c:38]1=[O:39])[CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH2:70]([O:71][CH2:72][CH:73]=[CH:74][CH2:75][n:76]1[c:77]([S:78][c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]([CH2:86][CH3:87])[c:88](=[O:89])[nH:90][c:91]1=[O:92])[CH3:93].[CH2:94]([n:95]1[c:96]([S:97][c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]([CH2:105][CH3:106])[c:107](=[O:108])[nH:109][c:110]1=[O:111])[C:112]#[CH:113].[CH3:48][C:49]([CH3:50])=[CH:51][CH2:52][n:53]1[c:54]([S:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]([CH2:63][CH3:64])[c:65](=[O:66])[nH:67][c:68]1=[O:69]>>[CH2:1]([CH:2]=[CH2:3])[n:5]1[c:6](=[O:21])[nH:7][c:8](=[O:20])[c:9]([CH2:18][CH3:19])[c:10]1[S:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1Participants
6
Sources & evidence
- ORD record
- ord-5fed74dba9a246aab55ed6f30aee52dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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