Bicarbonate Ion → HCID 67250086, compound

HRID 159742Notes

Reaction equation

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

Participants

Reactant 5

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 67432798Tert-butyl 4-{[2-({3-(acetylamino)-5-[2-(1-hydroxycyclobutyl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]oxy}piperidine-1-carboxylate

Product 1

HCID 67250086HCID 67250086, compound

Sources & evidence

ORD record: ord-ff3d818f2a5d4ba0aa6220ac08987d6f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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