HRID2341340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

结构：CC1(C)CCN(S(=O)(=O)c2cc(-c3cnc(C(F)(F)F)cc3C#N)c(Cl)cc2OCCCCO)c2ccccc21

HCID25155100

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCN(S(=O)(=O)c2cc(-c3cnc(C(F)(F)F)cc3C#N)c(Cl)cc2OCCCC(=O)O)c2ccccc21

HCID25155364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-393d86e9e3ae46dbba342a3f5a5d7e55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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