Ethyl Acetate → HCID 178441006, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:9][c:10]2[n:11][n:12][c:13]([CH2:20][c:21]3[cH:22][n:23][c:24]([O:32][CH3:33])[c:25](-[c:27]4[o:28][cH:29][cH:30][cH:31]4)[cH:26]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:34][cH:35]1.[C:36]([c:37]1[cH:38][cH:39][c:40]([NH:41][c:42]2[c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[c:49]([CH2:50][c:51]3[cH:52][n:53][c:54]([O:55][CH3:56])[c:57]([Br:58])[cH:59]3)[n:60][n:61]2)[cH:62][cH:63]1)([CH3:64])([CH3:65])[CH3:66].[CH2:67]([Sn:68]([CH2:69][CH2:70][CH2:71][CH3:72])([CH2:73][CH2:74][CH2:75][CH3:76])[c:77]1[o:78][cH:79][cH:80][cH:81]1)[CH2:82][CH2:83][CH3:84].[CH3:85][CH2:86][O:87][C:88]([CH3:89])=[O:90]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:9][c:10]2[n:11][n:12][c:13]([CH2:20][c:21]3[cH:22][n:23][c:24]([OH:32])[c:25](-[c:27]4[o:28][cH:29][cH:30][cH:31]4)[cH:26]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:34][cH:35]1Participants
5
Sources & evidence
- ORD record
- ord-615e5594fba64cd89bc5cbdc5077ba01
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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