HRID308302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID31275

1,4-Dioxane

C4H8O2

HCID11593591

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

C8H6N2O2S

反应SMILES：COc1ccc2nccc(N3CCC(SCCNC(=O)OC(C)(C)C)C3)c2n1

HCID58955130

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc2nccc(N3CCC(SCCNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1

HCID11569250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-45ba2dc707974ea5be22b17884c55c9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[BH4-:50].[C:52](=[O:53])([OH:54])[O-:55].[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([N:13]3[CH2:14][CH:15]([S:18][CH2:19][CH2:20][NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:16][CH2:17]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:67][OH:68].[CH:57]([Cl:58])([Cl:59])[Cl:60].[ClH:29].[Na+:51].[Na+:56].[O:37]=[C:38]1[NH:39][c:40]2[c:41]([cH:44][cH:45][c:46]([CH:48]=[O:49])[n:47]2)[S:42][CH2:43]1.[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1>>[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([N:13]3[CH2:14][CH:15]([S:18][CH2:19][CH2:20][NH:21][CH2:22][c:46]4[cH:45][cH:44][c:41]5[c:40]([n:47]4)[NH:39][C:38](=[O:37])[CH2:43][S:42]5)[CH2:16][CH2:17]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1