Water → [4-chloro-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-thiazol-2-yl]-(5-fluoro-pyridin-3-ylmethyl)-amine

HRID 1554200Notes

Reaction equation

HRID 1554200 reaction equation
[CH3:37][CH2:38][CH2:39][CH2:40][N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53].[F-:36].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:54].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[cH:11][c:12]([CH2:20][c:21]3[c:22]([Cl:35])[n:23][c:24]([NH:26][CH2:27][c:28]4[cH:29][n:30][cH:31][c:32]([F:34])[cH:33]4)[s:25]3)[c:13]3[c:14]2[n:15][cH:16][c:17]([Cl:19])[cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[cH:11][c:12]([CH2:20][c:21]2[c:22]([Cl:35])[n:23][c:24]([NH:26][CH2:27][c:28]3[cH:29][n:30][cH:31][c:32]([F:34])[cH:33]3)[s:25]2)[c:13]2[c:14]1[n:15][cH:16][c:17]([Cl:19])[cH:18]2

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 57619183[5-(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-chloro-thiazol-2-yl]-(5-fluoro-pyridin-3-ylmethyl)-amine

Product 1

HCID 57619451[4-chloro-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-thiazol-2-yl]-(5-fluoro-pyridin-3-ylmethyl)-amine

Sources & evidence

ORD record
ord-f1696c1136a94553baa5f34fa3dcff2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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