Ethyl Acetate → HCID 178475487, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([Cl:25])[c:22]3[n:23][cH:24]2)[O:7][CH:8]([CH2:14][OH:15])[CH:9]1[O:10][C:11]([CH3:12])=[O:13].[C:26](=[O:27])([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[NH:33][S:34](=[O:35])(=[O:36])[NH2:37].[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[O:57]=[C:58]([O:59][CH:60]([CH3:61])[CH3:62])[N:63]=[N:64][C:65]([O:66][CH:67]([CH3:68])[CH3:69])=[O:70].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:71]1([P:72](=[O:73])([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([Cl:25])[c:22]3[n:23][cH:24]2)[O:7][CH:8]([CH2:14][N:33]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[S:34](=[O:35])(=[O:36])[NH2:37])[CH:9]1[O:10][C:11]([CH3:12])=[O:13]Participants
7
Sources & evidence
- ORD record
- ord-a8a1c76d16244523b5515be894fee218
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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