HRID124926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6456

Trityl chloride

C19H15Cl

HCID31275

1,4-Dioxane

C4H8O2

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID166653

Hydride

H-

结构：FC(F)(F)c1nc2c(c(NCc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)n1)CCCC2

HCID178506271

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc(C(F)(F)F)nc2c1CCCC2

HCID178501566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90cec05945f04585baa858f60868afd4
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

[Br:56][CH2:57][C:58](=[O:59])[O:60][CH3:61].[ClH:62].[H-:35].[Na+:34].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[O:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[OH2:68].[c:36]1([C:37]([Cl:38])([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][NH:19][c:20]3[n:21][c:22]([C:30]([F:31])([F:32])[F:33])[n:23][c:24]4[c:29]3[CH2:28][CH2:27][CH2:26][CH2:25]4)[cH:16][cH:17]2)[cH:8][cH:9][cH:10][cH:11]1>>[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]([c:20]3[n:21][c:22]([C:30]([F:31])([F:32])[F:33])[n:23][c:24]4[c:29]3[CH2:28][CH2:27][CH2:26][CH2:25]4)[CH2:57][C:58](=[O:59])[O:60][CH3:61])[cH:16][cH:17]2)[cH:8][cH:9][cH:10][cH:11]1