HRID1570076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID3280088

未命名化合物

HCID58942252

未命名化合物

结构：Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)ncnc2c1N

HCID67338632

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4cccc(C(F)(F)F)c4)ncnc23)ncn1

HCID67339274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2900e4fee9c84658b3fbe873153cd4d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[n:7][cH:8][n:9][c:10]2[c:11]1[NH2:12].[CH3:39][Si:40]([N-:41][Si:42]([CH3:43])([CH3:44])[CH3:45])([CH3:46])[CH3:47].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:24][c:25]1[n:26][cH:27][cH:28][cH:29][c:30]1-[c:31]1[cH:32][c:33]([NH:37][CH3:38])[n:34][cH:35][n:36]1.[Li+:48].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[OH2:54]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[n:7][cH:8][n:9][c:10]2[c:11]1[NH:12][c:25]1[n:26][cH:27][cH:28][cH:29][c:30]1-[c:31]1[cH:32][c:33]([NH:37][CH3:38])[n:34][cH:35][n:36]1