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Bicarbonate Ion → N-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-(1-piperidinyl)urea

HRID 101545
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HRID 101545 반응식
[C:42](=[O:43])([OH:44])[O-:45].[CH2:47]([Cl:48])[Cl:49].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:20])[cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:23][C:24]([Cl:25])([O:26][C:27]([O:28][C:29]([Cl:30])([Cl:31])[Cl:32])=[O:33])[Cl:34].[NH2:35][N:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Na+:46]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:20][C:27](=[O:33])[NH:35][N:36]4[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]4)[cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1140TolueneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 166581-AminopiperidineHCID 94429TriphosgeneHCID 11616363
4-(6,7-Dimethoxyquinazolin-4-yloxy)aniline

생성물 1

HCID 21889921N-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-(1-piperidinyl)urea

출처 및 근거

ORD 기록
ord-314ed0eb988049809ccbdd3d253e112b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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