HRID1129431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1

HCID51001287

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)OCCO)c[nH]4)c3)cc2)c1

HCID67042512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df4cfac9d42c4467950d8f0efc16f4a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[ClH:38].[ClH:50].[F:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:17][c:18]3[cH:19][c:20](-[c:24]4[cH:25][c:26]([C:29](=[O:30])[OH:31])[cH:27][nH:28]4)[n:21][cH:22][cH:23]3)[cH:32][cH:33]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[OH2:65].[OH:34][CH2:35][CH2:36][OH:37]>>[F:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:17][c:18]3[cH:19][c:20](-[c:24]4[cH:25][c:26]([C:29](=[O:30])[O:31][CH2:36][CH2:35][OH:34])[cH:27][nH:28]4)[n:21][cH:22][cH:23]3)[cH:32][cH:33]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1