HRID112432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID61011

1,3-Propanediamine, N,N-diethyl-

C7H18N2

结构：Nc1cc(Nc2ccc3c(ccn3C(=O)Nc3ccccc3)c2)ccn1

HCID21054808

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCNC(=O)Nc1cc(Nc2ccc3c(ccn3C(=O)Nc3ccccc3)c2)ccn1

HCID21054806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f988d2f211640038106292f31ed6380
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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