HRID290641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID79242

Hydrazinecarboxylic acid, phenylmethyl ester

C8H10N2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID57892440

未命名化合物

PRODUCTS

生成物

结构：Cc1sc(C(=O)NNC(=O)OCc2ccccc2)c2c1C1C(C2)C1(C)C

HCID67520612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4b2328504f44abd841d34aac11db92d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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