Toluene → 1-[4-[2-(Isoquinolin-3-ylamino)-pyridin-4-ylmethyl]-piperazin-1-yl]-ethanone

HRID 308472

반응식

HRID 308472 반응식
[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH3:16])=[O:17])[CH2:13][CH2:14]2)[cH:7]1.[Cs+:33].[Cs+:34].[NH2:18][c:19]1[n:20][cH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[cH:28]1>>[c:2]1([NH:18][c:19]2[n:20][cH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH3:16])=[O:17])[CH2:13][CH2:14]2)[cH:7]1

참가 물질

7

출처 및 근거

ORD 기록
ord-63a66221f9364e9380ae675b23b9ee29
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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