HRID187618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID19660

Carbonate

CO3-2

HCID2736229

1-(2-dimethylaminoethyl)piperazine

C8H19N3

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(=O)O)c3)cc12

HCID178489390

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12

HCID178489389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0e79ef835664b12a51daab6c6b8b0dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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