HRID664788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID21936857

tert-Butyl 6-amino-2,3-dihydro-1H-indole-1-carboxylate

C13H18N2O2

HCID59734304

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3sccc3NCc3ccnc4ccccc34)cc21

HCID58646024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-942791740bd346e2910c7719f812c133
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:65][N:66]([c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1)[CH3:73].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[Cl:62][CH2:63][Cl:64].[ClH:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:7][CH2:6]2.[OH:52][n:53]1[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[n:28]1[cH:29][cH:30][c:31]([CH2:38][NH:39][c:40]2[c:41]([C:45](=[O:46])[OH:47])[s:42][cH:43][cH:44]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:7][CH2:6]2)[C:45]([c:41]1[c:40]([NH:39][CH2:38][c:31]2[cH:30][cH:29][n:28][c:37]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[cH:44][cH:43][s:42]1)=[O:46]