Acetonitrile → HCID 67334271, compound
Reaction equation
[CH3:54][C:55]#[N:56].[CH:31]1([C:34](=[O:35])[N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[CH2:32][CH2:33]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:51][CH2:52][Cl:53].[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][Cl:28])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]>>[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][N:39]4[CH2:38][CH2:37][N:36]([C:34]([CH:31]5[CH2:32][CH2:33]5)=[O:35])[CH2:41][CH2:40]4)[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]Participants
6
Sources & evidence
- ORD record
- ord-351a21c651a84c5099f18af0d19cca85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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