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Bicarbonate Ion → HCID 67338716, compound

HRID 319644
Notes
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Reaction equation

HRID 319644 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[C:54](=[O:55])([OH:56])[O-:57].[CH3:24][n:25]1[c:26](=[O:46])[c:27]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:28][c:29]2[c:30]1[n:31][c:32]([NH:35][CH3:36])[n:33][cH:34]2.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[I:1][c:2]1[c:3]2[cH:4][cH:5][n:6][c:7]([NH:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10][c:11]1[CH3:12].[Na+:52].[Na+:53].[Na+:58].[OH2:47].[OH2:65]>>[c:2]1(-[c:27]2[c:26](=[O:46])[n:25]([CH3:24])[c:30]3[c:29]([cH:28]2)[cH:34][n:33][c:32]([NH:35][CH3:36])[n:31]3)[c:3]2[cH:4][cH:5][n:6][c:7]([NH:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10][c:11]1[CH3:12]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium Ion3×HCID 962Water2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 58466448HCID 58466448, compoundHCID 67338575
5-iodo-6-methyl-N-(3-(trifluoromethyl)phenyl)isoquinolin-1-amine

Product 1

HCID 67338716HCID 67338716, compound

Sources & evidence

ORD record
ord-979b0863f8be44888d899b3dd0be1706
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes