Diethyl Ether → HCID 57546048, compound
Reaction equation
[CH2:39]([Cl:40])[Cl:41].[CH3:34][CH2:35][O:36][CH2:37][CH3:38].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6]([CH:14]3[CH2:15][CH2:16]3)[n:7][c:8]2[c:9]([CH:11]([CH3:12])[OH:13])[cH:10]1.[Cl:28][C:29]([C:30]#[N:31])([Cl:32])[Cl:33].[N:17]12[CH2:18][CH2:19][CH2:20][N:21]=[C:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6]([CH:14]3[CH2:15][CH2:16]3)[n:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][C:30]([C:29]([Cl:28])([Cl:32])[Cl:33])=[NH:31])[cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-e109eec3bf454730b57b6ea247529360
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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