(+-)-3-Phenyllactic acid → 2-[4-(2,3-Dimethyl-[1]benzothiolo[3,2-f][1]benzofuran-4-yl)-2,6-diiodophenoxy]-3-phenylpropanoic acid

반응식

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

참가 물질

반응물 2

HCID 3848(+-)-3-Phenyllactic acid

HCID 99385254-(2,3-Dimethyl-1-oxa-9-thia-cyclopenta[b]fluoren-4-yl)-2,6-diiodo-phenol

생성물 1

HCID 183246622-[4-(2,3-Dimethyl-[1]benzothiolo[3,2-f][1]benzofuran-4-yl)-2,6-diiodophenoxy]-3-phenylpropanoic acid

출처 및 근거

ORD 기록: ord-61ef725e804543c6987826859f779323
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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