2-Chloroethanol → HCID 67854448, compound
Reaction equation
[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:66][C:67]#[N:68].[Cl:37][CH2:38][CH2:39][OH:40].[Na+:42].[OH-:41].[OH2:65].[OH:1][c:2]1[c:3]([C:8](=[O:9])[c:10]2[c:11]3[cH:12][cH:13][nH:14][c:15]3[cH:16][cH:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1.[OH:26][S:27]([c:28]1[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]1)(=[O:35])=[O:36].[S:43]([O-:44])([OH:45])(=[O:46])=[O:47]>>[O:1]([c:2]1[c:3]([C:8](=[O:9])[c:10]2[c:11]3[cH:12][cH:13][nH:14][c:15]3[cH:16][cH:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1)[CH2:39][CH2:38][Cl:37]Participants
11
Sources & evidence
- ORD record
- ord-b569f187c776427192f06386d1df362f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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