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Acetic Acid → 5-{4-Fluoro-3-[(3-pyrrolidin-1-yl-propylamino)-methyl]-phenyl}-indazole-1-carboxylic acid tert-butyl ester

HRID 697657
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반응식

HRID 697657 반응식
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[n:22]1[n:23][cH:24][c:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([CH:38]=[O:39])[c:34]([F:37])[cH:35][cH:36]3)[cH:28][cH:29][c:30]12.[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:49][C:50](=[O:51])[OH:52].[Cl:53][CH:54]([Cl:55])[CH3:56].[Cl:57][CH2:58][Cl:59].[NH2:40][CH2:41][CH2:42][CH2:43][N:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[Na+:14]>>[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[n:22]1[n:23][cH:24][c:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([CH2:38][NH:40][CH2:41][CH2:42][CH2:43][N:44]4[CH2:45][CH2:46][CH2:47][CH2:48]4)[c:34]([F:37])[cH:35][cH:36]3)[cH:28][cH:29][c:30]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 923Sodium IonHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 316701-PyrrolidinepropanamineHCID 2724942TriacetoxyborohydrideHCID 866164695-(4-Fluoro-3-formylphenyl)-indazole-1-carboxylic acid tert-butyl ester

생성물

1
HCID 687505725-{4-Fluoro-3-[(3-pyrrolidin-1-yl-propylamino)-methyl]-phenyl}-indazole-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-6416c984f48f42fb889a91c4716976cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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