Bicarbonate Ion → 2-Chloro-3-(1-Cyanocyclopropyl)-N-[5-({2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-Yl}oxy)-2-Fluorophenyl]benzamide

HRID 1208896Notes

Reaction equation

HRID 1208896 reaction equation
[C:46](=[O:47])([O-:48])[OH:49].[CH:40]1([C:43](=[O:44])[Cl:45])[CH2:41][CH2:42]1.[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][cH:14][c:15]([F:33])[c:16]([NH:18][C:19]([c:20]4[c:21]([Cl:31])[c:22]([C:26]5([C:29]#[N:30])[CH2:27][CH2:28]5)[cH:23][cH:24][cH:25]4)=[O:32])[cH:17]3)[cH:7][cH:8][c:9]2[n:10]1.[Na+:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][cH:14][c:15]([F:33])[c:16]([NH:18][C:19]([c:20]4[c:21]([Cl:31])[c:22]([C:26]5([C:29]#[N:30])[CH2:27][CH2:28]5)[cH:23][cH:24][cH:25]4)=[O:32])[cH:17]3)[cH:7][cH:8][c:9]2[n:10]1)[C:43]([CH:40]1[CH2:41][CH2:42]1)=[O:44]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1049PyridineHCID 8028TetrahydrofuranHCID 77637Cyclopropanecarbonyl chlorideHCID 57387326HCID 57387326, compound

Product 1

HCID 252061852-Chloro-3-(1-Cyanocyclopropyl)-N-[5-({2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-Yl}oxy)-2-Fluorophenyl]benzamide

Sources & evidence

ORD record
ord-851b7dd46889475a975f61226c4eb520
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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