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Ammonium → N-(Tetrahydro-2H-pyran-2-yloxy) 2-{6-[Methyl(naphthalene-2-sulfonyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxamide

HRID 1566534
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HRID 1566534 반응식
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:39][O:40][S:41]([O:42][CH3:43])(=[O:44])=[O:45].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cl-:46].[Cl:60][CH2:61][Cl:62].[H-:2].[NH4+:47].[Na+:1].[cH:3]1[c:4]([S:13](=[O:14])(=[O:15])[NH:16][CH:17]2[CH:18]3[CH2:19][N:20]([c:23]4[n:24][cH:25][c:26]([C:29](=[O:30])[NH:31][O:32][CH:33]5[O:34][CH2:35][CH2:36][CH2:37][CH2:38]5)[cH:27][n:28]4)[CH2:21][CH:22]23)[cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12>>[cH:3]1[c:4]([S:13](=[O:14])(=[O:15])[N:16]([CH:17]2[CH:18]3[CH2:19][N:20]([c:23]4[n:24][cH:25][c:26]([C:29](=[O:30])[NH:31][O:32][CH:33]5[O:34][CH2:35][CH2:36][CH2:37][CH2:38]5)[cH:27][n:28]4)[CH2:21][CH:22]23)[CH3:39])[cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 6344DichloromethaneHCID 6497Dimethyl SulfateHCID 8028TetrahydrofuranHCID 8900HeptaneHCID 166653Hydride
HCID 59367684
N-(Tetrahydro-2H-pyran-2-yloxy) 2-[6-(naphthalene-2-sulfonylamino)-3-azabicyclo[3.1.0]hex-3-yl]pyrimidine-5-carboxamide

생성물 1

HCID 59367637N-(Tetrahydro-2H-pyran-2-yloxy) 2-{6-[Methyl(naphthalene-2-sulfonyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxamide

출처 및 근거

ORD 기록
ord-91741d5776924d9aad6396d67d3c9f60
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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