HRID823426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2777319

4-(Trifluoromethoxy)phenylacetic acid

C9H7F3O3

结构：CCCCOC(=O)c1ccc2c(c1)CCC2NC1CCC(C(C)(C)C)CC1

HCID57586904

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)c1ccc2c(c1)CCC2N(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCC(C(C)(C)C)CC1

HCID68427530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd31853435a7406cbe270a08238332e9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([NH:11][CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:18][cH:19][c:20]32)[CH2:9][CH2:10]1.[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:71][CH2:72][CH2:73][CH2:74][CH2:75][CH3:76].[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[F:28][C:29]([O:30][c:31]1[cH:32][cH:33][c:34]([CH2:37][C:38](=[O:39])[OH:40])[cH:35][cH:36]1)([F:41])[F:42].[Na+:70].[O-:66][C:67]([OH:68])=[O:69].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:18][cH:19][c:20]32)[C:38]([CH2:37][c:34]2[cH:33][cH:32][c:31]([O:30][C:29]([F:28])([F:41])[F:42])[cH:36][cH:35]2)=[O:39])[CH2:9][CH2:10]1