Chloride → HCID 76834618, compound
Reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Cl-:42].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:31])([CH2:32][CH:33]3[O:34][C:35]([CH3:38])([CH3:39])[O:36][CH2:37]3)[C:11](=[O:30])[N:12]([CH:21]([CH2:22][C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[CH2:28][CH3:29])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[ClH:40].[Na+:43].[OH2:41]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:31])([CH2:32][CH:33]([OH:34])[CH2:37][OH:36])[C:11](=[O:30])[N:12]([CH:21]([CH2:22][C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[CH2:28][CH3:29])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-8638af925cec4f7e92db1f8ce381310c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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