HRID1127779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID9960

3-Furanol, tetrahydro-

C4H8O2

结构：O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1S(=O)(=O)c1ccccc1

HCID24742986

(7-Phenylsulfonyl-6-nitro-chinazolin-4-yl)-(3-chlor-4-fluor-phenyl)-amin

C20H12ClFN4O4S

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1

HCID22225689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17c886f3be134542b6e2e4f7ecc0c2db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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