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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dichloromethane → Toluene-4-sulfonic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo(2.2.2]oct-1-yl ester

HRID 315387
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인쇄 미리보기

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HRID 315387 반응식
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Cl:45][CH2:46][Cl:47].[OH:1][C:2]12[CH2:3][CH2:4][C:5]([c:10]3[n:11][c:12]4[n:13]([CH2:24][CH2:25][CH3:26])[c:14](=[O:23])[n:15]([CH2:20][CH2:21][CH3:22])[c:16](=[O:19])[c:17]4[nH:18]3)([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[c:34]1([CH3:44])[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]1>>[O:1]([C:2]12[CH2:3][CH2:4][C:5]([c:10]3[n:11][c:12]4[n:13]([CH2:24][CH2:25][CH3:26])[c:14](=[O:23])[n:15]([CH2:20][CH2:21][CH3:22])[c:16](=[O:19])[c:17]4[nH:18]3)([CH2:6][CH2:7]1)[CH2:8][CH2:9]2)[S:40]([c:37]1[cH:36][cH:35][c:34]([CH3:44])[cH:39][cH:38]1)(=[O:41])=[O:42]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 99507768-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione

생성물 1

HCID 86591740Toluene-4-sulfonic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo(2.2.2]oct-1-yl ester

출처 및 근거

ORD 기록
ord-5c2cf352054849f58d3a4b9399e558cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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