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Dichloromethane → Boronic Acid

HRID 673740
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HRID 673740 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]([NH:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:38][c:39]1[c:40]2[c:41]([s:42][c:43]1[C:44](=[O:45])[Cl:46])[c:47]([F:52])[cH:48][cH:49][c:50]2[F:51].[Cl:53][CH2:54][Cl:55]>>[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]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[O:26][CH3:27])[C:44]([c:43]2[c:39]([Cl:38])[c:40]3[c:41]([s:42]2)[c:47]([F:52])[cH:48][cH:49][c:50]3[F:51])=[O:45])[CH2:16][CH2:17]1)[CH3:28]
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참가 물질

7

반응물 5

HCID 6344DichloromethaneHCID 61668Boronic AcidHCID 81531DiisopropylethylamineHCID 219384153-Chloro-4,7-difluorobenzo[b]thiophene-2-carbonyl chlorideHCID 69166809tert-butyl N-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-N-methylcarbamate

생성물 2

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

출처 및 근거

ORD 기록
ord-f4cee2c666f445d2b6dd8e45070638b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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