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Hydrochloric Acid → 4-{6-Fluoro-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-quinazolin-4-yl}-piperidine-1-carboxylic acid (4-morpholin-4-yl-phenyl)-amide

HRID 1226153
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반응식

HRID 1226153 반응식
[C:1]([O:2][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15][cH:16][n:17][c:18]3[cH:19][c:20]([O:25][CH2:26][CH2:27][CH2:28][N:29]4[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]4)[c:21]([F:24])[cH:22][c:23]23)[CH2:12][CH2:13]1)([CH3:3])([CH3:4])[CH3:5].[ClH:36].[N+:37]([c:38]1[cH:39][cH:40][c:41]([O:42][C:43](=[O:44])[NH:48][c:49]2[cH:50][cH:51][c:52]([N:55]3[CH2:56][CH2:57][O:58][CH2:59][CH2:60]3)[cH:53][cH:54]2)[cH:45][cH:46]1)([O-:47])=[O:61]>>[C:6](=[O:7])([N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15][cH:16][n:17][c:18]3[cH:19][c:20]([O:25][CH2:26][CH2:27][CH2:28][N:29]4[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]4)[c:21]([F:24])[cH:22][c:23]23)[CH2:12][CH2:13]1)[NH:48][c:49]1[cH:50][cH:51][c:52]([N:55]2[CH2:56][CH2:57][O:58][CH2:59][CH2:60]2)[cH:53][cH:54]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 227075274-morpholino-N-(4-nitrophenoxycarbonyl)anilineHCID 595517194-{6-Fluoro-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-quinazolin-4-yl}-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 587706564-{6-Fluoro-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-quinazolin-4-yl}-piperidine-1-carboxylic acid (4-morpholin-4-yl-phenyl)-amide

출처 및 근거

ORD 기록
ord-d043ef0ff2b649e7b06b2bf54ac48514
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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