HRID938078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：CC(C)N(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

HCID9931891

2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]acetic acid

C25H29N3O3

PRODUCTS

生成物

结构：CC(C)N(CCCCOCC(N)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

HCID18452647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8de46ca0577c4cd89b5e3b229a75a2b5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:39]([Cl:40])(=[O:41])[O:42][CH2:43][CH3:44].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[NH3:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[c:1]1(-[c:7]2[n:8][cH:9][c:10]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH2:24][CH2:25][CH2:26][O:27][CH2:28][C:29](=[O:30])[OH:31])[n:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][cH:9][c:10]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH2:24][CH2:25][CH2:26][O:27][CH2:28][C:29](=[O:30])[NH2:34])[n:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1