1,2-Dichloroethane → 1-{3-[1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hex-3-yl]propyl}-5-iodo-3-(phenylcarbonyl)-2,4(1H,3H)-pyrimidinedione

HRID 815540

반응식

HRID 815540 반응식
[C:18]([O:19][BH-:20]([O:21][C:22](=[O:23])[CH3:24])[O:25][C:26](=[O:27])[CH3:28])(=[O:29])[CH3:30].[CH3:14][C:15](=[O:16])[OH:17].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]23[CH2:9][NH:10][CH2:11][CH:12]2[CH2:13]3)[cH:6][cH:7]1.[Cl:53][CH2:54][CH2:55][Cl:56].[I:32][c:33]1[c:34](=[O:52])[n:35]([C:44](=[O:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:36](=[O:43])[n:37]([CH2:39][CH2:40][CH:41]=[O:42])[cH:38]1.[Na+:31].[OH2:57]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]23[CH2:9][N:10]([CH2:41][CH2:40][CH2:39][n:37]4[c:36](=[O:43])[n:35]([C:44](=[O:45])[c:46]5[cH:47][cH:48][cH:49][cH:50][cH:51]5)[c:34](=[O:52])[c:33]([I:32])[cH:38]4)[CH2:11][CH:12]2[CH2:13]3)[cH:6][cH:7]1

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 2724942TriacetoxyborohydrideHCID 101303311-(4-Chlorophenyl)-3-azabicyclo[3.1.0]hexaneHCID 593375793-[5-iodo-2,4-dioxo-3-(phenylcarbonyl)-3,4-dihydro-1(2H)-pyrimidinyl]propanal

생성물 1

HCID 866159461-{3-[1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hex-3-yl]propyl}-5-iodo-3-(phenylcarbonyl)-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록
ord-8fb019d5c5cb4cebaac901c0b9de5af6
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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