HRID1213348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID723

2-Butenedioic acid

C4H4O4

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID66876

Ethanol, 2-[methyl(phenylmethyl)amino]-

C10H15NO

结构：CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2C(F)(F)F)c2c(ccnc2OC(C)C)N1

HCID13923228

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)OCCN(C)Cc2ccccc2)C(c2ccccc2C(F)(F)F)c2c(ccnc2OC(C)C)N1

HCID10256740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-869c804b84f04006a965fbb33e349acc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:13]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:22]1)[O:20][C:21](=[O:14])[C:23]1=[C:24]([CH3:47])[NH:25][c:26]2[cH:27][cH:28][n:29][c:30]([O:43][CH:44]([CH3:45])[CH3:46])[c:31]2[CH:32]1[c:33]1[c:34]([C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37][cH:38]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:10][CH2:11][OH:12].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[OH:48][C:49]([CH:50]=[CH:51][C:52](=[O:53])[OH:54])=[O:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:10][CH2:11][O:12][C:21](=[O:20])[C:23]1=[C:24]([CH3:47])[NH:25][c:26]2[cH:27][cH:28][n:29][c:30]([O:43][CH:44]([CH3:45])[CH3:46])[c:31]2[CH:32]1[c:33]1[c:34]([C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37][cH:38]1

反应方程式

反应物

2-​Butenedioic acid

Toluene

Ethyl acetate

Ethanol, 2-[methyl(phenylmethyl)amino]-

未命名化合物

生成物

未命名化合物

2-Butenedioic acid