Sodium ion → HCID 69522204, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:52]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38][CH2:39][c:40]4[n:41]([CH2:45][CH2:46][CH2:47][C:48](=[O:49])[NH:50][CH3:51])[cH:42][cH:43][n:44]4)[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[Cl:71][CH2:72][Cl:73].[Na+:69].[Na+:70].[OH:53][O:54][C:55]([c:56]1[cH:57][c:58]([Cl:59])[cH:60][cH:61][cH:62]1)=[O:63].[S:64]([O-:65])([O-:66])(=[O:67])=[S:68]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:52]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38]([CH2:39][c:40]4[n:41]([CH2:45][CH2:46][CH2:47][C:48](=[O:49])[NH:50][CH3:51])[cH:42][cH:43][n:44]4)=[O:53])[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-c6ebe4f905c246cbab324ff12f267b80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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