Sodium ion → HCID 19887353, compound

HRID 2132538Notes

Reaction equation

HRID 2132538 reaction equation
[CH2:31]([CH2:32][CH2:33][CH3:34])[NH2:35].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][C:15]3([C:16](=[CH2:21])[O:17][C:18](=[O:20])[O:19]3)[CH2:22][CH2:23]2)[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:6][cH:7]1.[Na+:49].[OH-:48].[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1.[c:50]1([CH3:51])[c:52]([CH3:53])[cH:54][cH:55][cH:56][cH:57]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][C:15]3([C:16](=[CH2:21])[N:35]([CH2:31][CH2:32][CH2:33][CH3:34])[C:18](=[O:17])[O:19]3)[CH2:22][CH2:23]2)[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 7237O-XyleneHCID 8007ButylamineHCID 19887352HCID 19887352, compound

Product 1

HCID 19887353HCID 19887353, compound

Sources & evidence

ORD record
ord-2125149e4bab4967adb33c19441079fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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