HRID1558573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID20064

1-(Ethoxycarbonyl)hydrazine

C3H8N2O2

结构：O=C(Cc1cccnc1C(F)(F)F)c1cc(OCc2ccccc2)c(OCc2ccccc2)c([N+](=O)[O-])c1

HCID68703897

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NN=C(Cc1cccnc1C(F)(F)F)c1cc(OCc2ccccc2)c(OCc2ccccc2)c([N+](=O)[O-])c1

HCID91338491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e0187fe0d3f4c0a85621667df07c0ef
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

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