Sodium ion → HCID 69522600, compound

HRID 307866Notes

Reaction equation

HRID 307866 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:51]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]4[c:35]([n:36][c:37]([S:39][CH2:40][c:41]5[cH:42][n:43][cH:44][n:45]5[CH2:46][CH2:47][CH3:48])[nH:38]4)[cH:49][cH:50]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH2:70]([Cl:71])[Cl:72].[Cl:52][c:53]1[cH:54][cH:55][cH:56][c:57]([C:58]([O:59][OH:61])=[O:60])[cH:62]1.[Na+:68].[Na+:69].[S:63]([O-:64])([O-:65])(=[O:66])=[S:67]>>[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:51]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]4[c:35]([n:36][c:37]([S:39]([CH2:40][c:41]5[cH:42][n:43][cH:44][n:45]5[CH2:46][CH2:47][CH3:48])=[O:60])[nH:38]4)[cH:49][cH:50]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1

Participants

6

Sources & evidence

ORD record
ord-007005510d8d49beae730547b0eb6d76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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