Acetonitrile → 5,10-Dihydro-5-[[2-[(1-piperidinyl)methyl]-1-piperidinyl]acetyl]-11H-dibenzo[b,e][1,4]diazepin-11-one

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 2542901-(2-Piperidinylmethyl)piperidine

HCID 100854195-(chloroacetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

생성물 1

HCID 135785635,10-Dihydro-5-[[2-[(1-piperidinyl)methyl]-1-piperidinyl]acetyl]-11H-dibenzo[b,e][1,4]diazepin-11-one

출처 및 근거

ORD 기록: ord-0327dff0bbda44b196de723b5943c884
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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