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Bicarbonate Ion → 2-Cyano-N-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-N-[3-(tetrahydro-pyran-2-yloxy)-benzyl]-benzenesulfonamide

HRID 110996
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HRID 110996 반응식
[C:37](#[N:38])[c:39]1[c:40]([S:45](=[O:46])(=[O:47])[Cl:48])[cH:41][cH:42][cH:43][cH:44]1.[C:49](=[O:50])([OH:51])[O-:52].[CH2:54]([Cl:55])[Cl:56].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][CH2:16][c:17]3[cH:18][c:19]([O:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:53]>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([N:15]([CH2:16][c:17]3[cH:18][c:19]([O:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[S:45]([c:40]3[c:39]([C:37]#[N:38])[cH:44][cH:43][cH:42][cH:41]3)(=[O:46])=[O:47])[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 8471TriethylamineHCID 5223472-Cyanobenzenesulfonyl ChlorideHCID 22137433[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-[3-(tetrahydro-pyran-2-yloxy)-benzyl]-amine

생성물 1

HCID 22137283
2-Cyano-N-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-N-[3-(tetrahydro-pyran-2-yloxy)-benzyl]-benzenesulfonamide

출처 및 근거

ORD 기록
ord-207aa712109342a6a4847e6f695b1efd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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