Cyclododecanamine → Methyl 5-chloro-2-[[2-[2-(cyclododecylamino)-2-oxoethyl]sulfanylacetyl]amino]benzoate

반응식

[CH:1]1([NH2:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[Cl:14][c:15]1[cH:16][c:17]([C:30](=[O:31])[O:32][CH3:33])[c:18]([NH:21][C:22]([CH2:23][S:24][CH2:25][C:26](=[O:27])[OH:28])=[O:29])[cH:19][cH:20]1>>[CH:1]1([NH:13][C:26]([CH2:25][S:24][CH2:23][C:22]([NH:21][c:18]2[c:17]([C:30](=[O:31])[O:32][CH3:33])[cH:16][c:15]([Cl:14])[cH:20][cH:19]2)=[O:29])=[O:27])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1

참가 물질

반응물 2

HCID 2897Cyclododecanamine

HCID 51040153[(2-([4-Chloro-2-(methoxycarbonyl)phenyl]amino)-2-oxoethyl)sulfanyl]acetic acid

생성물 1

HCID 66876845Methyl 5-chloro-2-[[2-[2-(cyclododecylamino)-2-oxoethyl]sulfanylacetyl]amino]benzoate

출처 및 근거

ORD 기록: ord-c035a3d3154a4b3baa2f9c5a00e1b977
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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