Chloride → HCID 15698117, compound

HRID 203126Notes

Reaction equation

HRID 203126 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21]([C:26](=[O:27])[OH:28])[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[c:7]([CH2:11][OH:12])[c:8]([Cl:10])[n:9]1.[CH3:53][OH:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl-:31].[Na+:30].[OH-:29].[c:32]1([N:38]([C:39](=[O:40])[n+:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21]([C:26](=[O:27])[O:28][C:39]([N:38]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)=[O:40])[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[c:7]([CH2:11][OH:12])[c:8]([Cl:10])[n:9]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 130762Exp7711HCID 12486270HCID 12486270, compound

Product 1

HCID 15698117HCID 15698117, compound

Sources & evidence

ORD record
ord-1d5d9eda41264055b43610aa4e2d5d62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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