HRID164200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID81531

Diisopropylethylamine

C8H19N

HCID21226386

Carbonochloridate

CClO2-

结构：Cc1ccc2c(N3CCC(N)C3)nc(-c3c(O)cccc3F)nc2c1

HCID136365372

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NC1CCN(c2nc(-c3c(O)cccc3F)nc3cc(C)ccc23)C1

HCID136614559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab15f469b48c477f8a60627f6d571be2
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

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