HRID119662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID15940811

3-(Pyridin-4-yl)-3,9-diazaspiro[5.5]undecane

C14H21N3

HCID17750399

5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid

C13H17NO4S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2sc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc2C1

HCID59483855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ff670fee4974eec9ae2683998387050
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

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