HCID 66568114, compound → HCID 77571746, compound

HRID 2319215Notes

Reaction equation

HRID 2319215 reaction equation
[C:56]([O:57][C:58]([N:59]1[CH2:60][CH2:61][N:62]([CH2:63][CH2:64][NH2:65])[CH:66]([CH3:67])[CH2:68]1)=[O:69])([CH3:70])([CH3:71])[CH3:72].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([NH:23][CH2:24][CH2:25][N:26]5[CH:27]([CH3:32])[CH2:28][NH:29][CH2:30][CH2:31]5)[n:19][cH:20][c:21]4[Cl:22])[cH:14][c:15]23)[CH2:2][CH2:3]1.[CH:33]1([NH:34][C:35]([c:36]2[c:37]3[cH:38][c:39](-[c:40]4[c:41]([CH3:42])[cH:43][n:44][c:45]([Cl:46])[n:47]4)[s:48][c:49]3[cH:50][cH:51][cH:52]2)=[O:53])[CH2:54][CH2:55]1>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([NH:23][CH2:24][CH2:25][N:26]5[CH:27]([CH3:32])[CH2:28][NH:29][CH2:30][CH2:31]5)[n:19][cH:20][c:21]4[CH3:33])[cH:14][c:15]23)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 66568114HCID 66568114, compoundHCID 866253772-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamideHCID 178430535HCID 178430535, compound

Product 1

HCID 77571746HCID 77571746, compound

Sources & evidence

ORD record
ord-e0653f8343d14ef681cd715dd1027177
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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