Sodium ion → HCID 136146741, compound

HRID 191275Notes

Reaction equation

HRID 191275 reaction equation
[CH2:61]([Cl:62])[Cl:63].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Na+:59].[Na+:60].[OH2:53].[OH:1][CH:2]1[C:3]([CH3:45])([CH3:46])[CH2:4][CH:5]([O:8][c:9]2[cH:10][cH:11][c:12](-[n:15]3[c:16]([CH3:44])[n:17][c:18]([CH2:41][CH2:42][CH3:43])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30](-[c:35]6[n:36][o:37][c:38](=[O:40])[nH:39]6)[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]3=[O:21])[cH:13][cH:14]2)[CH2:6][CH2:7]1.[S:54]([O-:55])([O-:56])(=[O:57])=[S:58]>>[O:1]=[C:2]1[C:3]([CH3:45])([CH3:46])[CH2:4][CH:5]([O:8][c:9]2[cH:10][cH:11][c:12](-[n:15]3[c:16]([CH3:44])[n:17][c:18]([CH2:41][CH2:42][CH3:43])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30](-[c:35]6[n:36][o:37][c:38](=[O:40])[nH:39]6)[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]3=[O:21])[cH:13][cH:14]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 136146900HCID 136146900, compound

Product 1

HCID 136146741HCID 136146741, compound

Sources & evidence

ORD record
ord-7b81ec5cab194918ae6cce7db6e57b36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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