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Bicarbonate Ion → 6-(Chloromethyl)-N-[6-{6-(methyloxy)-5-[(methylsulfonyl)amino]-3-pyridinyl}-1-(phenylsulfonyl)-1H-indazol-4-yl]-2-pyridinecarboxamide

HRID 198227
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HRID 198227 반응식
[C:50](=[O:51])([OH:52])[O-:53].[Cl:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][c:45]([C:47](=[O:48])[Cl:49])[n:46]1.[Cl:55][CH2:56][Cl:57].[NH2:1][c:2]1[c:3]2[cH:4][n:5][n:6]([S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:7]2[cH:8][c:9](-[c:11]2[cH:12][c:13]([NH:19][S:20](=[O:21])(=[O:22])[CH3:23])[c:14]([O:17][CH3:18])[n:15][cH:16]2)[cH:10]1.[Na+:54].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[NH:1]([c:2]1[c:3]2[cH:4][n:5][n:6]([S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:7]2[cH:8][c:9](-[c:11]2[cH:12][c:13]([NH:19][S:20](=[O:21])(=[O:22])[CH3:23])[c:14]([O:17][CH3:18])[n:15][cH:16]2)[cH:10]1)[C:47]([c:45]1[cH:44][cH:43][cH:42][c:41]([CH2:40][Cl:39])[n:46]1)=[O:48]
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참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 6344DichloromethaneHCID 66911247N-[5-[4-Amino-1-(phenylsulfonyl)-1H-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]methanesulfonamideHCID 866533026-(Chloromethyl)-2-pyridinecarbonyl chloride

생성물 1

HCID 58255800
6-(Chloromethyl)-N-[6-{6-(methyloxy)-5-[(methylsulfonyl)amino]-3-pyridinyl}-1-(phenylsulfonyl)-1H-indazol-4-yl]-2-pyridinecarboxamide

출처 및 근거

ORD 기록
ord-79709d19563f425d897e82e8d36a9295
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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