甲苯 → 2-(2-(2-(2-Morpholinoethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetic acid

HRID 281942

反应方程式

HRID 281942 反应方程式
[CH3:1][C:2]([CH2:3][CH2:4][N:5]=[CH:6][c:7]1[c:8]([NH:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:9]([F:13])[cH:10][cH:11][cH:12]1)([CH3:23])[CH3:24].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[SH:25][CH:26]([C:27](=[O:28])[OH:29])[CH2:30][C:31](=[O:32])[OH:33]>>[CH3:1][C:2]([CH2:3][CH2:4][N:5]1[CH:6]([c:7]2[c:8]([NH:14][CH2:15][CH2:16][N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[c:9]([F:13])[cH:10][cH:11][cH:12]2)[S:25][CH:26]([CH2:30][C:31](=[O:32])[OH:33])[C:27]1=[O:28])([CH3:23])[CH3:24]

参与物

4

反应物 3

HCID 1140甲苯HCID 6268巯基丁二酸HCID 577744792-((E)-(3,3-dimethylbutylimino)methyl)-6-fluoro-N-(2-morpholinoethyl)benzenamine

产物 1

HCID 866323182-(2-(2-(2-Morpholinoethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetic acid

来源与证据

ORD记录
ord-3b06dcc783f7471783c4213ed1cd4d76
来源数据集
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

关联笔记

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