HRID208302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8018

2-Methoxyethylamine

C3H9NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：COC(=O)CCS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1

HCID59278313

未命名化合物

PRODUCTS

生成物

结构：COCCNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1

HCID59278399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2308e4372af433e9b31d7a508aa4ba8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:35][S:6](=[O:7])(=[O:8])[c:9]1[n:10][cH:11][c:12]([CH2:15][NH:16][C:17](=[O:18])[c:19]2[c:20]3[c:21]([cH:22][n:23][cH:24]2)[n:25](-[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[n:26][cH:27]3)[cH:13][cH:14]1.[CH3:37][CH2:38][O-:39].[CH3:48][O:49][CH2:50][CH2:51][NH2:52].[CH3:58][CH2:59][OH:60].[Cl-:61].[Cl:40][N:41]1[C:42](=[O:43])[CH2:44][CH2:45][C:46]1=[O:47].[NH4+:62].[Na+:36]>>[S:6](=[O:7])(=[O:8])([c:9]1[n:10][cH:11][c:12]([CH2:15][NH:16][C:17](=[O:18])[c:19]2[c:20]3[c:21]([cH:22][n:23][cH:24]2)[n:25](-[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[n:26][cH:27]3)[cH:13][cH:14]1)[NH:52][CH2:51][CH2:50][O:49][CH3:48]