Toluene → 3-(6-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl-1H-pyrrolo[2,3-b]pyridine

반응식

[CH3:17][N:18]([CH3:19])[CH2:20][c:21]1[cH:22][nH:23][c:24]2[n:25][cH:26][cH:27][cH:28][c:29]12.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:1]1(-[c:7]2[cH:8][c:9]3[c:14]([cH:15][cH:16]2)[CH2:13][NH:12][CH2:11][CH2:10]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]3[c:14]([cH:15][cH:16]2)[CH2:13][N:12]([CH2:20][c:21]2[cH:22][nH:23][c:24]4[n:25][cH:26][cH:27][cH:28][c:29]24)[CH2:11][CH2:10]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 323966-Phenyl-1,2,3,4-tetrahydroisoquinoline

HCID 53835493-(Dimethylaminomethyl)-7-azaindole

생성물 1

HCID 214630023-(6-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl-1H-pyrrolo[2,3-b]pyridine

출처 및 근거

ORD 기록: ord-b28edaf9873049338f6bc8d187febccf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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