Ethyl Acetate → HCID 22235841, compound
Reaction equation
[C:1]([CH2:2][NH:3][C:4]([CH:5]([NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[cH:12][cH:13][c:14]([N:15]3[CH2:16][CH2:17][N:18]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][CH2:27]3)[cH:28][cH:29]2)[cH:30][cH:31]1)[CH2:32][CH:33]([CH3:34])[CH3:35])=[O:36])#[N:37].[C:38](#[N:39])[CH2:40][NH:41][C:42]([CH:43]([CH2:44][C:45]1([CH3:48])[CH2:46][CH2:47]1)[S:49][c:50]1[cH:51][cH:52][c:53](-[c:56]2[cH:57][cH:58][c:59]([N:62]3[CH2:63][CH2:64][N:65]([C:68]([O:69][C:70]([CH3:71])([CH3:72])[CH3:73])=[O:74])[CH2:66][CH2:67]3)[cH:60][cH:61]2)[cH:54][cH:55]1)=[O:75].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81]>>[C:38](#[N:39])[CH2:40][NH:41][C:42]([CH:43]([CH2:44][C:45]1([CH3:48])[CH2:46][CH2:47]1)[S:49][c:50]1[cH:51][cH:52][c:53](-[c:56]2[cH:57][cH:58][c:59]([N:62]3[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]3)[cH:60][cH:61]2)[cH:54][cH:55]1)=[O:75]Participants
4
Sources & evidence
- ORD record
- ord-c08d54f72a394d5f9addfe0547145f9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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