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Bicarbonate Ion → 4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)phenylamino]-7-methoxy-8-(2-morpholin-4-yl-ethoxy)benzo[g]quinoline-3-carbonitrile

HRID 1231619
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HRID 1231619 반응식
[C:46](=[O:47])([OH:48])[O-:49].[CH2:38]1[CH2:39][O:40][CH2:41][CH2:42][NH:43]1.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][c:10]3[c:11]([NH:19][c:20]4[cH:21][c:22]([Cl:33])[c:23]([S:26][c:27]5[n:28]([CH3:32])[cH:29][cH:30][n:31]5)[cH:24][cH:25]4)[c:12]([C:17]#[N:18])[cH:13][n:14][c:15]3[cH:16]2)[cH:34][c:35]1[O:36][CH3:37].[I-:45].[Na+:44].[Na+:50]>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][c:10]3[c:11]([NH:19][c:20]4[cH:21][c:22]([Cl:33])[c:23]([S:26][c:27]5[n:28]([CH3:32])[cH:29][cH:30][n:31]5)[cH:24][cH:25]4)[c:12]([C:17]#[N:18])[cH:13][n:14][c:15]3[cH:16]2)[cH:34][c:35]1[O:36][CH3:37])[N:43]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1
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참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 8083MorpholineHCID 30165Iodide IonHCID 101661258-(2-chloroethoxy)-4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)phenylamino]-7-methoxybenzo[g]quinoline-3-carbonitrile

생성물 1

HCID 10145408
4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)phenylamino]-7-methoxy-8-(2-morpholin-4-yl-ethoxy)benzo[g]quinoline-3-carbonitrile

출처 및 근거

ORD 기록
ord-8b961ee712f54edc9ecbfd9d9ba1dc3b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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