HRID1220137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID22236963

Diethyl (hydroxymethyl)(phenyl)propanedioate

C14H18O5

结构：CN(C)C(=O)c1cc(OCC(=O)O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID23130252

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(COC(=O)COc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)OCC)c1ccccc1

HCID11411582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14ed6028e93f4065af2c936db2e37d4e
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

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