Chloride → HCID 178471685, compound
Reaction equation
[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH2:8][P:9]([O:10][CH2:11][CH3:12])([O:13][CH2:14][CH3:15])=[O:16].[CH3:57][C:58]#[N:59].[CH:28](=[O:29])[CH2:30][O:31][CH:32]1[CH2:33][CH:34]2[CH2:35][CH2:36][CH:37]3[C:38]4([OH:56])[CH2:39][CH2:40][CH:41]([c:51]5[cH:52][o:53][cH:54][cH:55]5)[C:42]4([CH3:43])[CH2:44][CH2:45][CH:46]3[C:47]2([CH3:50])[CH2:48][CH2:49]1.[Cl-:2].[Li+:1].[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.[OH2:60]>>[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH:8]=[CH:28][CH2:30][O:31][CH:32]1[CH2:33][CH:34]2[CH2:35][CH2:36][CH:37]3[C:38]4([OH:56])[CH2:39][CH2:40][CH:41]([c:51]5[cH:52][o:53][cH:54][cH:55]5)[C:42]4([CH3:43])[CH2:44][CH2:45][CH:46]3[C:47]2([CH3:50])[CH2:48][CH2:49]1Participants
8
Sources & evidence
- ORD record
- ord-a54476a8fd564673a25c7e3ab4a8ddcb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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