HRID159082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID980

4-Nitrophenol

C6H5NO3

HCID6344

Dichloromethane

CH2Cl2

HCID6558

Isobutylamine

C4H11N

HCID164602

Chlorocarbonic acid

CHClO2

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(OC(F)(F)F)c3)CC2)c1

HCID57917640

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3)CC2)cc1OC(F)(F)F

HCID57917708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14961b7e08aa42eeb49acc85ed5b1319
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:49]([CH:50]([CH3:51])[CH3:52])[NH2:53].[Cl:35][C:36](=[O:37])[OH:38].[Cl:54][CH2:55][Cl:56].[N+:39]([c:40]1[cH:41][cH:42][c:43]([OH:44])[cH:45][cH:46]1)([O-:47])=[O:48].[NH2:1][c:2]1[c:3]([O:30][C:31]([F:32])([F:33])[F:34])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:28][cH:29]1.[OH2:57]>>[NH:1]([c:2]1[c:3]([O:30][C:31]([F:32])([F:33])[F:34])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:28][cH:29]1)[C:36](=[O:38])[NH:53][CH2:49][CH:50]([CH3:51])[CH3:52]