HRID116166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID78328

1-Piperazinepropanamine, 4-methyl-

C8H19N3

HCID22936798

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCCNC(=O)Nc2cc(Oc3ccc(N)c(Cl)c3)ccn2)CC1

HCID23152966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6cec1e5fee943fa8279a3a5323122f9
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

[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:34][N:35]1[CH2:36][CH2:37][N:38]([CH2:41][CH2:42][CH2:43][NH2:44])[CH2:39][CH2:40]1.[CH3:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][cH:12]2)[cH:14][cH:15]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:25](=[O:26])[NH:44][CH2:43][CH2:42][CH2:41][N:38]3[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]3)[n:10][cH:11][cH:12]2)[cH:14][cH:15]1