HRID168457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8083

Morpholine

C4H9NO

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID22936798

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)cc1Cl

HCID23153288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6c7cb45e39342839749d316bfd40dcd
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

[CH2:34]1[CH2:35][O:36][CH2:37][CH2:38][NH:39]1.[CH2:51]([O:52][CH2:53][CH3:54])[CH3:55].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([Cl:16])[c:12]([NH2:15])[cH:13][cH:14]2)[cH:7]1.[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([Cl:16])[c:12]([NH2:15])[cH:13][cH:14]2)[cH:7]1)[C:25](=[O:26])[N:39]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1