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Acetic Acid → Methyl 4-{[2-ethyl-1-(3-methyl-1-benzothiophen-2-yl)butyl]amino}benzoate

HRID 285995
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HRID 285995 반응식
[C:29](=[O:30])([O-:31])[OH:32].[C:34]([BH3-:35])#[N:36].[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[c:6]1[s:7][c:8]2[c:9]([c:10]1[CH3:11])[cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH3:17].[CH2:38]([Cl:39])[Cl:40].[CH3:51][C:52](=[O:53])[OH:54].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl-:46].[Cl-:48].[Cl-:49].[Cl-:50].[NH2:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]1.[Na+:33].[Na+:37].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[Ti+4:47]>>[CH2:1]([CH3:2])[CH:3]([CH:4]([c:6]1[s:7][c:8]2[c:9]([c:10]1[CH3:11])[cH:12][cH:13][cH:14][cH:15]2)[NH:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]1)[CH2:16][CH3:17]
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 176Acetic AcidHCID 312Chloride4회HCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 12082
Methyl 4-aminobenzoate
HCID 114942Titanium cation (4+)
HCID 498716Cyano-borohydride
HCID 66777378HCID 66777378, 화합물

생성물 1

HCID 66777962Methyl 4-{[2-ethyl-1-(3-methyl-1-benzothiophen-2-yl)butyl]amino}benzoate

출처 및 근거

ORD 기록
ord-c1c9b946deb6410a8c6ff0e8fb9ca19f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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