HRID156151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：Cn1ncc(NC(=O)Oc2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904567

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eb68f1f3cb54ddead70ca81d83c16f8
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

[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([O:29][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:30])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[N:44]1([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[OH2:57]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[N:47]2[CH2:46][CH2:45][N:44]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:49][CH2:48]2)[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1