Toluene → Methyl 5-{4-[(4-chloromethyl-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methylbenzoate

반응식

[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[OH:1][CH2:2][c:3]1[cH:4][c:5]([O:28][CH3:29])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH3:25])[c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24]3)[o:12][c:13]2[CH3:14])[cH:26][cH:27]1.[S:30]([Cl:31])([Cl:32])=[O:33]>>[CH2:2]([c:3]1[cH:4][c:5]([O:28][CH3:29])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH3:25])[c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24]3)[o:12][c:13]2[CH3:14])[cH:26][cH:27]1)[Cl:32]

참가 물질

반응물 3

HCID 1140Toluene

HCID 24386Thionyl Chloride

HCID 69218085Methyl 5-{4-[(4-hydroxymethyl-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methylbenzoate

생성물 1

HCID 69214305Methyl 5-{4-[(4-chloromethyl-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methylbenzoate

출처 및 근거

ORD 기록: ord-9b870ffa704343c5965b6300d4221564
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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