Benzyl 2-hydroxyacetate → (+/-)-(3SR,3aRS)-2-(benzyloxy)-2-oxoethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate

HRID 88693

반응식

HRID 88693 반응식
[C:31]([CH2:32][OH:33])(=[O:34])[O:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[cH:3][c:4]([N:10]2[N:11]=[C:12]3[c:13]4[c:14]([cH:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][cH:27]4)[CH2:15][CH2:16][CH:17]3[CH:18]2[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:5][cH:6][c:7]1[C:8]#[N:9]>>[Cl:1][c:2]1[cH:3][c:4]([N:10]2[N:11]=[C:12]3[c:13]4[c:14]([cH:24][c:25]([C:28](=[O:29])[O:30][CH2:32][C:31](=[O:34])[O:35][CH2:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[cH:26][cH:27]4)[CH2:15][CH2:16][CH:17]3[CH:18]2[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:5][cH:6][c:7]1[C:8]#[N:9]

참가 물질

3

반응물 2

HCID 561337Benzyl 2-hydroxyacetateHCID 24983760(+/-)(3SR,3aRS)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid

생성물 1

HCID 68797933(+/-)-(3SR,3aRS)-2-(benzyloxy)-2-oxoethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate

출처 및 근거

ORD 기록
ord-6bfab5f4c4754c6f8ee6a170cba66fb6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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