Acetonitrile → HCID 22593659, compound
Reaction equation
[C:1](#[N:2])[c:3]1[c:4]([S:16][CH2:17][CH2:18][NH:19][CH2:20][CH:21]([CH2:22][CH:23]=[CH2:24])[c:25]2[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]2)[c:5]([C:13](=[O:14])[OH:15])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[cH:12]1.[CH3:57][C:58]#[N:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[O:42]=[C:43]1[N:44]([P:45]([Cl:46])([N:47]2[CH2:48][CH2:49][O:50][C:51]2=[O:52])=[O:53])[CH2:54][CH2:55][O:56]1>>[C:1](#[N:2])[c:3]1[c:4]2[c:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[cH:12]1)[C:13](=[O:15])[N:19]([CH2:20][CH:21]([CH2:22][CH:23]=[CH2:24])[c:25]1[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]1)[CH2:18][CH2:17][S:16]2Participants
6
Sources & evidence
- ORD record
- ord-ec8ef05e50bb4516b205766a2509ee7a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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