HRID102183

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

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

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)NCCNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904455

1,1-Dimethylethyl N-[2-[[[[1-methyl-5-[(triphenylmethyl)amino]-1H-pyrazol-4-yl]amino]carbonyl]amino]ethyl]carbamate

C31H36N6O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07539620b1d24d2abed6d0abe6881290
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

[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[O:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]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.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[NH2:44][CH2:45][CH2:46][NH:47][C:48]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54].[OH2:55]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[NH:44][CH2:45][CH2:46][NH:47][C:48]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[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