HRID91075

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-

HCID11593591

3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carbaldehyde

C8H6N2O2S

结构：COc1ccc2ncc(F)c(CCN3CCC(O)(CN)C3)c2n1

HCID68576770

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2ncc(F)c(CCN3CCC(O)(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1

HCID11634694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-accc98a084914b58b049ff0c48c31073
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

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