4-Methyl-1,3-dihydro-2H-indol-2-one → 3-methyl-2-(4-methyl-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

HRID 663073

반응식

HRID 663073 반응식
[CH3:1][c:2]1[c:3]([CH:21]=[O:22])[nH:4][c:5]2[c:6]1[C:7](=[O:20])[N:8]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:9][CH2:10][CH2:11]2.[CH3:23][c:24]1[c:25]2[c:29]([cH:30][cH:31][cH:32]1)[NH:28][C:27](=[O:33])[CH2:26]2>>[CH3:1][c:2]1[c:3]([CH:21]=[C:26]2[c:25]3[c:24]([CH3:23])[cH:32][cH:31][cH:30][c:29]3[NH:28][C:27]2=[O:33])[nH:4][c:5]2[c:6]1[C:7](=[O:20])[N:8]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:9][CH2:10][CH2:11]2

참가 물질

3

반응물 2

HCID 125793824-Methyl-1,3-dihydro-2H-indol-2-oneHCID 592500973-Methyl-4-oxo-5-(2-piperidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde

생성물 1

HCID 685244513-methyl-2-(4-methyl-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

출처 및 근거

ORD 기록
ord-5677e862cdbe4e2997d29bb8d8919c9e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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