HRID2156750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID67112088

未命名化合物

HCID86666566

未命名化合物

PRODUCTS

生成物

结构：CCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3C(C)CC(=O)N4)CC2)n1

HCID67112017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e99e9905df5a436faf333de7eac9ac04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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