Diethyl Ether → HCID 22010754, compound
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]([c:24]4[c:25]([S:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[N:38]5[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]5)[cH:26][cH:27][cH:28][cH:29]4)[CH3:45])[cH:46][cH:47]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[CH3:59][CH2:60][O:61][CH2:62][CH3:63].[Cl:48][c:49]1[cH:50][cH:51][cH:52][c:53]([C:54]([O:55][OH:57])=[O:56])[cH:58]1.[Cl:64][CH2:65][Cl:66]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]([c:24]4[c:25]([S:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[N:38]5[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]5)=[O:56])[cH:26][cH:27][cH:28][cH:29]4)[CH3:45])[cH:46][cH:47]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-717be887feff4382b4be52055304476f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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