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Ammonium → N-(4-Morpholinophenyl)-8-(4-methylpiperazinyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

HRID 95511
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HRID 95511 반응식
[C:38](=[O:39])([O-:40])[OH:41].[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[Cl:30][CH2:31][CH2:32][N:33]([CH3:34])[CH2:35][CH2:36][Cl:37].[ClH:29].[NH4+:43].[Na+:42].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[CH:16]3[CH2:17][c:18]4[c:19]([NH2:28])[cH:20][cH:21][c:22]([O:26][CH3:27])[c:23]4[CH2:24][CH2:25]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[OH-:44]>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[CH:16]3[CH2:17][c:18]4[c:19]([N:28]5[CH2:31][CH2:32][N:33]([CH3:34])[CH2:35][CH2:36]5)[cH:20][cH:21][c:22]([O:26][CH3:27])[c:23]4[CH2:24][CH2:25]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 2631-ButanolHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 961HydroxideHCID 4033Mechlorethamine
HCID 18622484
N-(4-morpholinophenyl)-8-amino-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

생성물 1

HCID 9825711N-(4-Morpholinophenyl)-8-(4-methylpiperazinyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

출처 및 근거

ORD 기록
ord-cd8f50b37feb405183b17e3a8b47d12d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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