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Dichloromethane → [4-((5-Chloro-3-methyl-pyridin-2-ylmethyl)-{3-[1-(4-fluoro-phenyl)-1-methyl-ethyl]-pyridin-2-ylmethyl}-amino)-butyl]-carbamic acid tert-butyl ester

HRID 1552701
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반응식

HRID 1552701 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][NH:12][CH2:13][c:14]1[n:15][cH:16][c:17]([Cl:21])[cH:18][c:19]1[CH3:20])=[O:22].[Cl:41][CH2:42][Cl:43].[F:23][c:24]1[cH:25][cH:26][c:27]([C:30]([CH3:31])([CH3:32])[c:33]2[c:34]([CH:39]=[O:40])[n:35][cH:36][cH:37][cH:38]2)[cH:28][cH:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]([CH2:13][c:14]1[n:15][cH:16][c:17]([Cl:21])[cH:18][c:19]1[CH3:20])[CH2:39][c:34]1[c:33]([C:30]([c:27]2[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]2)([CH3:31])[CH3:32])[cH:38][cH:37][cH:36][n:35]1)=[O:22]
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참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 67272212{4-[(5-Chloro-3-methyl-pyridin-2-ylmethyl)-amino]-butyl}-carbamic acid tert-butyl esterHCID 865947653-[1-(4-Fluoro-phenyl)-1-methyl-ethyl]pyridine-2-carbaldehyde

생성물 1

HCID 67272647[4-((5-Chloro-3-methyl-pyridin-2-ylmethyl)-{3-[1-(4-fluoro-phenyl)-1-methyl-ethyl]-pyridin-2-ylmethyl}-amino)-butyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-b29b2bf7f8f946d89f3c1adf8af4abee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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