HRID108190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID2734626

2,4-Dimethoxybenzenesulfonyl chloride

C8H9ClO4S

结构：CCOc1ncccc1C1(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)Nc2cc(F)c(Cl)cc21

HCID67087506

未命名化合物

PRODUCTS

生成物

结构：CCOc1ncccc1C1(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(Cl)cc21

HCID67087432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ffa18600d314571b98477aa169eb27c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:3][O:4][c:5]1[c:6]([S:13](=[O:14])(=[O:15])[Cl:16])[cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]1.[CH3:54][OH:55].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cl:17][c:18]1[cH:19][c:20]2[c:24]([cH:25][c:26]1[F:27])[NH:23][C:22](=[O:28])[C:21]2([CH2:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][N:35]([CH:38]2[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]2)[CH2:36][CH2:37]1)[c:45]1[c:46]([O:51][CH2:52][CH3:53])[n:47][cH:48][cH:49][cH:50]1.[Cl:56][CH2:57][Cl:58].[H-:1].[Na+:2].[OH2:70]>>[CH3:3][O:4][c:5]1[c:6]([S:13](=[O:14])(=[O:15])[N:23]2[C:22](=[O:28])[C:21]([CH2:29][C:30](=[O:31])[N:32]3[CH2:33][CH2:34][N:35]([CH:38]4[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]4)[CH2:36][CH2:37]3)([c:45]3[c:46]([O:51][CH2:52][CH3:53])[n:47][cH:48][cH:49][cH:50]3)[c:20]3[cH:19][c:18]([Cl:17])[c:26]([F:27])[cH:25][c:24]32)[cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]1