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1,2-Dichloroethane → (2-Chlorophenyl)(4-chlorophenyl)methyl quinuclidine-3-carboxylate

HRID 124721
노트
인쇄 미리보기

반응식

HRID 124721 반응식
[CH2:13]([Cl:14])[CH2:15][Cl:16].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:27][c:28]1[c:29]([CH:34]([OH:35])[c:36]2[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[cH:30][cH:31][cH:32][cH:33]1.[ClH:1].[N:2]12[CH2:3][CH:4]([C:10](=[O:11])[OH:12])[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1>>[N:2]12[CH2:3][CH:4]([C:10](=[O:11])[O:12][CH:34]([c:29]3[c:28]([Cl:27])[cH:33][cH:32][cH:31][cH:30]3)[c:36]3[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]3)[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 247332(2-Chlorophenyl)(4-chlorophenyl)methanolHCID 2832202Quinuclidine-3-carboxylic acid

생성물 1

HCID 70925811(2-Chlorophenyl)(4-chlorophenyl)methyl quinuclidine-3-carboxylate

출처 및 근거

ORD 기록
ord-79843a04d2114a8588841f34eb9f5c3f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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