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Boronic Acid → tert-Butyl {4-[(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-(2-methoxy-5-pyrazin-2-yl-benzyl)-amino]-cyclohexyl}-methyl-carbamate

HRID 299519
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HRID 299519 반응식
[BH:1]([OH:2])[OH:3].[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:32])[c:23]3[c:24]([s:25]2)[c:26]([F:31])[cH:27][cH:28][c:29]3[F:30])[CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:16][CH2:17]1)[CH3:42].[Cl:43][c:44]1[n:45][cH:46][cH:47][n:48][cH:49]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:32])[c:23]3[c:24]([s:25]2)[c:26]([F:31])[cH:27][cH:28][c:29]3[F:30])[CH2:33][c:34]2[cH:35][c:36](-[c:44]3[n:45][cH:46][cH:47][n:48][cH:49]3)[cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:16][CH2:17]1)[CH3:42]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 61668Boronic AcidHCID 73277ChloropyrazineHCID 69230022tert-butyl N-[4-[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[(2-methoxyphenyl)methyl]amino]cyclohexyl]-N-methylcarbamate

생성물 1

HCID 59683639tert-Butyl {4-[(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-(2-methoxy-5-pyrazin-2-yl-benzyl)-amino]-cyclohexyl}-methyl-carbamate

출처 및 근거

ORD 기록
ord-2ce90fd0ee114da59b1b5e754881bc85
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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