HRID2315391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID68263

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

C7H6N4O

HCID676763

2-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

C10H11NO3

HCID21919216

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCOCC2)c2sc(C(=O)NCC(=O)c3ccc4c(c3)OCCO4)nc12

HCID21137090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-440c555a72fe472888664567667acdf8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:21]([n:22]1[cH:23][cH:24][n:25][cH:26]1)([n:27]1[cH:28][cH:29][n:30][cH:31]1)=[O:32].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:7]2[c:8]1[n:9][c:10]([C:12](=[O:13])[OH:14])[s:11]2.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[ClH:33].[NH2:34][CH2:35][C:36](=[O:37])[c:38]1[cH:39][c:40]2[c:41]([cH:46][cH:47]1)[O:42][CH2:43][CH2:44][O:45]2.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:7]2[c:8]1[n:9][c:10]([C:12](=[O:14])[NH:34][CH2:35][C:36](=[O:37])[c:38]1[cH:39][c:40]3[c:41]([cH:46][cH:47]1)[O:42][CH2:43][CH2:44][O:45]3)[s:11]2