HRID148933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28123

Tetrahydroborate

H4B-

HCID73702

Ethanesulfonamide

C2H7NO2S

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

HCID59578423

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NCc1cncc(-c2nc3ccc(Cl)cc3n2C)c1

HCID49820746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40748ea9cf554768830cfa5e2eaaa269
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH4-:33].[CH2:20]([CH3:21])[S:22](=[O:23])(=[O:24])[NH2:25].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:35][OH:36].[CH3:37][CH:38]([CH3:39])[O-:40].[CH3:42][CH:43]([CH3:44])[O-:45].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:50][CH:51]([CH3:52])[O-:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH3:18])[c:8](-[c:10]3[cH:11][n:12][cH:13][c:14]([CH:15]=[O:16])[cH:17]3)[n:9]2)[cH:19]1.[Na+:34].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59].[Ti+4:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH3:18])[c:8](-[c:10]3[cH:11][n:12][cH:13][c:14]([CH2:15][NH:25][S:22]([CH2:20][CH3:21])(=[O:23])=[O:24])[cH:17]3)[n:9]2)[cH:19]1