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Boronic Acid → tert-Butyl {4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4'-hydroxymethyl-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

HRID 176399
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HRID 176399 반응식
[BH:1]([OH:2])[OH:3].[Br:41][c:42]1[cH:43][cH:44][c:45]([CH2:48][OH:49])[cH:46][cH:47]1.[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([N:18]([C:19](=[O:20])[c:21]2[c:22]([Cl:30])[c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[O:38][CH3:39])[CH2:16][CH2:17]1)[CH3:40]>>[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([N:18]([C:19](=[O:20])[c:21]2[c:22]([Cl:30])[c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:31][c:32]2[cH:33][c:34](-[c:42]3[cH:43][cH:44][c:45]([CH2:48][OH:49])[cH:46][cH:47]3)[cH:35][cH:36][c:37]2[O:38][CH3:39])[CH2:16][CH2:17]1)[CH3:40]
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참가 물질

4

반응물 3

HCID 61668Boronic AcidHCID 701194-Bromobenzyl alcoholHCID 69165908tert-butyl N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)-[(2-methoxyphenyl)methyl]amino]cyclohexyl]-N-methylcarbamate

생성물 1

HCID 59683467tert-Butyl {4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4'-hydroxymethyl-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

출처 및 근거

ORD 기록
ord-c2a00a8eb7204a3595b5b1154061f488
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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