Sodium ion → HCID 3013561, compound

HRID 1214448Notes

Reaction equation

HRID 1214448 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:45]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[s:41][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:64][CH2:65][Cl:66].[Na+:62].[Na+:63].[OH:46][O:47][C:48]([c:49]1[cH:50][c:51]([Cl:52])[cH:53][cH:54][cH:55]1)=[O:56].[S:57]([O-:58])([O-:59])(=[O:60])=[S:61]>>[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:45]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[s:41][cH:42][cH:43][n:44]4)=[O:46])[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

Participants

6

Sources & evidence

ORD record
ord-a0cd64cb3c594ea58bc6508021bb1a39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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