Ethyl Acetate → HCID 20434936, compound
Reaction equation
[CH3:10][O:11][c:12]1[cH:13][c:14]2[c:15]([N:24]3[CH2:25][CH2:26][CH:27]([CH2:30][I:31])[CH2:28][CH2:29]3)[n:16][cH:17][n:18][c:19]2[cH:20][c:21]1[O:22][CH3:23].[CH3:1][C:2]1=[N:3][S:4](=[O:8])(=[O:9])[NH:5][CH:6]=[CH:7]1.[CH3:33][CH2:34][CH2:35][CH2:36][N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F-:32]>>[CH3:1][C:2]1=[N:3][S:4](=[O:8])(=[O:9])[N:5]([CH2:30][CH:27]2[CH2:26][CH2:25][N:24]([c:15]3[c:14]4[cH:13][c:12]([O:11][CH3:10])[c:21]([O:22][CH3:23])[cH:20][c:19]4[n:18][cH:17][n:16]3)[CH2:29][CH2:28]2)[CH:6]=[CH:7]1Participants
6
Sources & evidence
- ORD record
- ord-184e615f928340ddb6b213227ce166ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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