7-Methoxy-1-benzofuran-2-carboxylic acid → HCID 178488625, 화합물

반응식

[C:1]([O:2][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11]([NH2:12])=[O:13])[C:14](=[O:15])[NH:16][CH:17]([CH:18]([C:19](=[O:20])[N:21]1[CH:22]([C:23](=[O:24])[NH:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH:31]([Cl:33])[CH2:32]1)[OH:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([CH3:3])([CH3:4])[CH3:5].[CH3:42][O:43][c:44]1[cH:45][cH:46][cH:47][c:48]2[cH:49][c:50]([C:53]([OH:54])=[O:55])[o:51][c:52]12>>[C:6](=[O:7])([NH:8][CH:9]([CH2:10][C:11]([NH2:12])=[O:13])[C:14](=[O:15])[NH:16][CH:17]([CH:18]([C:19](=[O:20])[N:21]1[CH:22]([C:23](=[O:24])[NH:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH:31]([Cl:33])[CH2:32]1)[OH:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:50]1[cH:49][c:48]2[cH:47][cH:46][cH:45][c:44]([O:43][CH3:42])[c:52]2[o:51]1

참가 물질

반응물 2

HCID 6060377-Methoxy-1-benzofuran-2-carboxylic acid

HCID 178449330HCID 178449330, 화합물

생성물 1

HCID 178488625HCID 178488625, 화합물

출처 및 근거

ORD 기록: ord-8f9b3e3074a4441088263563ddd9a84b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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