HRID195908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID59733402

Methyl 2-[2-(pyrrolidin-1-yl)ethoxy]benzoate

C14H19NO3

HCID178508056

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1c[nH]nc1C(=O)Nc1ccc(F)cc1)c1ccccc1OCCN1CCCC1

HCID178522448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f2ce506b4a64c29b7f12e0afe8e92b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:1][O:2][C:3]([c:4]1[c:5]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7][cH:8][cH:9]1)=[O:18].[CH3:51][S:52]([CH3:53])=[O:54].[F:21][c:22]1[cH:23][cH:24][c:25]([NH:28][C:29](=[O:30])[c:31]2[n:32][nH:33][cH:34][c:35]2[NH2:36])[cH:26][cH:27]1.[Na+:20].[OH-:19].[OH2:55].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:3]([c:4]1[c:5]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7][cH:8][cH:9]1)(=[O:18])[NH:36][c:35]1[c:31]([C:29]([NH:28][c:25]2[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]2)=[O:30])[n:32][nH:33][cH:34]1