Ethyl Acetate → HCID 178491750, compound
Reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][cH:5][c:6]([CH2:42][O:7][C:8]([CH:9]([CH2:10][O:11][CH:12]3[O:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[N:18]([S:19](=[O:20])(=[O:21])[c:22]3[c:23]([CH3:31])[cH:24][c:25]([O:29][CH3:30])[cH:26][c:27]3[CH3:28])[CH2:32][c:33]3[cH:34][c:35]4[c:36]([cH:37][cH:38]3)[O:39][CH2:40][O:41]4)=[O:43])[cH:44][c:45]2[O:46]1.[CH2:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[O:54][NH2:55].[CH3:66][CH2:67][N:68]=[C:69]=[N:70][CH2:71][CH2:72][CH2:73][N:74]([CH3:75])[CH3:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1>>[O:7]=[C:8]([CH:9]([CH2:10][O:11][CH:12]1[O:13][CH2:14][CH2:15][CH2:16][CH2:17]1)[N:18]([S:19](=[O:20])(=[O:21])[c:22]1[c:23]([CH3:31])[cH:24][c:25]([O:29][CH3:30])[cH:26][c:27]1[CH3:28])[CH2:32][c:33]1[cH:34][c:35]2[c:36]([cH:37][cH:38]1)[O:39][CH2:40][O:41]2)[NH:55][O:54][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1Participants
6
Sources & evidence
- ORD record
- ord-0cfc58698ab64bb89f800bc8f26ca71d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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