HRID1144368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID10943348

3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbaldehyde

C9H7NO2S

HCID57938635

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nccc(-c3ccc(CCNCc4ccc5c(c4)NC(=O)CS5)cc3)c2n1

HCID9911925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ed68fb7e78c4e0cb980c0aeee0c1519
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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