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Dichloromethane → N-(4-{[{3-[1-(4-fluoro-phenyl)-1-methyl-ethyl]-pyridin-2-ylmethyl}-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-acetamide

HRID 2162725
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HRID 2162725 반응식
[Cl:44][CH2:45][Cl:46].[F:26][c:27]1[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[c:36]2[c:37]([CH:42]=[O:43])[n:38][cH:39][cH:40][cH:41]2)[cH:31][cH:32]1.[OH:1][CH2:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][C:8]([CH3:9])=[O:10])[cH:11][cH:12][c:13]1[CH2:14][NH:15][CH:16]1[CH2:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][n:24][c:25]21>>[OH:1][CH2:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][C:8]([CH3:9])=[O:10])[cH:11][cH:12][c:13]1[CH2:14][N:15]([CH:16]1[CH2:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][n:24][c:25]21)[CH2:42][c:37]1[c:36]([C:33]([c:30]2[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]2)([CH3:34])[CH3:35])[cH:41][cH:40][cH:39][n:38]1
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반응물 3

HCID 6344DichloromethaneHCID 67272098N-{3-hydroxymethyl-4-[(5,6,7,8-tetrahydro-quinolin-8-ylamino)-methyl]-benzyl}-acetamideHCID 865947653-[1-(4-Fluoro-phenyl)-1-methyl-ethyl]pyridine-2-carbaldehyde

생성물 1

HCID 58997109N-(4-{[{3-[1-(4-fluoro-phenyl)-1-methyl-ethyl]-pyridin-2-ylmethyl}-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-acetamide

출처 및 근거

ORD 기록
ord-8aaa0b8419c741df91c154332c416334
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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