HRID1553131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID212069

1H-Indazol-5-amine, 1-benzyl-

C14H13N3

HCID16770310

6-Bromo-4-chloroquinazoline

C8H4BrClN2

PRODUCTS

生成物

结构：Brc1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1

HCID21951963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85c2c2a17a074c6fbfb82ad72498f7d5
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([Cl:12])[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][C:38]#[N:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[NH2:13][c:14]1[cH:15][c:16]2[cH:17][n:18][n:19]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:20]2[cH:21][cH:22]1.[OH2:46]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([NH:13][c:14]3[cH:15][c:16]4[cH:17][n:18][n:19]([CH2:23][c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[c:20]4[cH:21][cH:22]3)[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1