Water → 1-(1,3-benzodioxol-5-yl)-N-[5-[(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

HRID 1565083Notes

Reaction equation

HRID 1565083 reaction equation
[CH2:44]([N+:45]([CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[F-:43].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[s:17][c:18]([CH:21]([c:22]4[c:23]([Cl:29])[cH:24][c:25]([F:28])[cH:26][cH:27]4)[N:30]4[CH2:31][CH:32]([O:35][Si:36]([C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])[CH3:42])[CH2:33][CH2:34]4)[cH:19][n:20]3)[CH2:11][CH2:12]1)[cH:9]2.[OH2:61]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[s:17][c:18]([CH:21]([c:22]4[c:23]([Cl:29])[cH:24][c:25]([F:28])[cH:26][cH:27]4)[N:30]4[CH2:31][CH:32]([OH:35])[CH2:33][CH2:34]4)[cH:19][n:20]3)[CH2:11][CH2:12]1)[cH:9]2

Participants

5

Reactant 4

HCID 962WaterHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 725540431-(1,3-benzodioxol-5-yl)-N-[5-[[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

Product 1

HCID 732046491-(1,3-benzodioxol-5-yl)-N-[5-[(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-8be58ffd2aa24bd3a7d5371956955e48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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