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Hydrochloric Acid → Hydrochloric Acid

HRID 827870
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인쇄 미리보기

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HRID 827870 반응식
[CH3:14][NH:15][CH2:16][c:17]1[cH:18][cH:19][c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[c:26]1[CH2:27][CH2:28][CH3:29].[CH3:1][NH:2][CH2:3][c:4]1[c:5]([CH3:13])[c:6]2[c:7]([s:8]1)[cH:9][cH:10][cH:11][cH:12]2.[CH3:58][N:59]1[CH2:60][c:61]2[cH:62][c:63]([CH:64]=[CH:65][C:66]([OH:67])=[O:68])[cH:69][n:70][c:71]2[NH:72][C:73](=[O:74])[CH2:75]1.[ClH:30].[ClH:57].[O:31]1[CH2:32][CH2:33][N:34]([CH2:37][CH2:38][CH2:39][N:40]2[CH2:41][C:42](=[O:56])[NH:43][c:44]3[c:45]([cH:47][c:48]([CH:51]=[CH:52][C:53](=[O:54])[OH:55])[cH:49][n:50]3)[CH2:46]2)[CH2:35][CH2:36]1>>[CH3:1][N:2]([CH2:3][c:4]1[c:5]([CH3:13])[c:6]2[c:7]([s:8]1)[cH:9][cH:10][cH:11][cH:12]2)[C:53]([CH:52]=[CH:51][c:48]1[cH:47][c:45]2[c:44]([n:50][cH:49]1)[NH:43][C:42](=[O:56])[CH2:41][N:40]([CH2:39][CH2:38][CH2:37][N:34]1[CH2:33][CH2:32][O:31][CH2:36][CH2:35]1)[CH2:46]2)=[O:54].[ClH:30]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 313Hydrochloric Acid2회HCID 22593745N-methyl(3-methylbenzo[b]thiophen-2-yl)methanamineHCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 669662013-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acidHCID 669663853-[4-(3-morpholin-4-ylpropyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enoic acid

생성물 2

HCID 313Hydrochloric Acid
HCID 66966880N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[4-(3-morpholin-4-ylpropyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enamide

출처 및 근거

ORD 기록
ord-8c588d834c8a476c881eedc23e02a4f7
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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