HRID166717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID77597

2-(4-Aminopiperazin-1-yl)ethanol

C6H15N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC1(CC1)C(=O)N2C

HCID57635014

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NN2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC1(CC1)C(=O)N2C

HCID42638558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4ccf9685eb6459ba48443666566bf18
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

[B-:42]([F:43])([F:44])([F:45])[F:46].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]3([CH2:12][CH2:13]3)[CH2:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:74][CH2:75][Cl:76].[NH2:64][N:65]1[CH2:66][CH2:67][N:68]([CH2:71][CH2:72][OH:73])[CH2:69][CH2:70]1.[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:64][N:65]5[CH2:66][CH2:67][N:68]([CH2:71][CH2:72][OH:73])[CH2:69][CH2:70]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]3([CH2:12][CH2:13]3)[CH2:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1