HRID702066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1018

Picolinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID104967

Cesium(1+)

Cs+

2 次

HCID40154007

5-Iodo-2-methyl-2H-indazole

C8H7IN2

HCID178480034

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc3nnc(Sc4ccc5nn(C)cc5c4)n3n2)cn1

HCID56650915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b7bbecaecd6459da7b837aee75cc08b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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