Citric Acid → HCID 178460629, compound

HRID 99123Notes

Reaction equation

HRID 99123 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[Cl:31][c:32]1[c:33](-[n:40]2[n:41][cH:42][c:43]3[c:44]2[n:45][cH:46][n:47][c:48]3[Cl:49])[c:34]([C:35]#[N:36])[cH:37][cH:38][cH:39]1.[Cl:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][O:14][CH:15]([CH2:16][O:17][Si:18]([CH:19]([CH3:20])[CH3:21])([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[CH3:28])[OH:29])=[O:30])[n:8][cH:9]1.[H-:1].[Na+:2].[OH2:68].[OH:50][C:51]([CH2:52][C:53]([C:54](=[O:55])[OH:56])([CH2:57][C:58](=[O:59])[OH:60])[OH:61])=[O:62]>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][O:14][CH:15]([CH2:16][O:17][Si:18]([CH:19]([CH3:20])[CH3:21])([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[CH3:28])[O:29][c:48]2[c:43]3[cH:42][n:41][n:40](-[c:33]4[c:32]([Cl:31])[cH:39][cH:38][cH:37][c:34]4[C:35]#[N:36])[c:44]3[n:45][cH:46][n:47]2)=[O:30])[n:8][cH:9]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 575045663-chloro-2-(4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzonitrileHCID 66813419N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide

Product 1

HCID 178460629HCID 178460629, compound

Sources & evidence

ORD record
ord-b12b9d6defad42dc9c72b268af1a4ab1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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