Acetonitrile → HCID 19032953, compound
Reaction equation
[CH3:57][C:58]#[N:59].[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][c:17]2[cH:18][nH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:6][cH:7]1.[Cl:39][CH2:40][Cl:41].[NH2:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:31][cH:32]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]([C:13](=[O:14])[NH:26][c:27]2[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:31][cH:32]2)[CH2:16][c:17]2[cH:18][nH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-99170c5877e74355bb7ea8f291b9f5a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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