HRID1569208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID70320

2-Bromomethylnaphthalene

C11H9Br

HCID11300593

未命名化合物

PRODUCTS

生成物

结构：N=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1N2)SCc1ccc2ccccc2c1

HCID178511890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea7bb2b8535d42d9bdff90be3e892ebd
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:21][CH2:22][c:23]1[cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31][cH:32]1.[C:38](=[O:39])([OH:40])[O-:41].[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[Na+:42].[O:1]=[C:2]1[c:3]2[c:4]([cH:13][cH:14][c:15]([NH:17][C:18](=[S:19])[NH2:20])[cH:16]2)[NH:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[NH:8]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[O:1]=[C:2]1[c:3]2[c:4]([cH:13][cH:14][c:15]([NH:17][C:18]([S:19][CH2:22][c:23]3[cH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[cH:31][cH:32]3)=[NH:20])[cH:16]2)[NH:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[NH:8]1