HRID197594

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

HCID14232

N-Methoxymethylamine

C2H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

结构：CCS(=O)(=O)N1CCN(c2cnc(N)c(C(=O)O)n2)CC1

HCID66744527

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)N1CCN(c2cnc(N)c(C(=O)N(C)OC)n2)CC1

HCID86662073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-912cafd6d41c4d52800449d4eefc074e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:34]([F:35])([F:36])([F:37])[F:38].[CH3:23][O:24][NH:25][CH3:26].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[ClH:22].[NH2:1][c:2]1[c:3]([C:19](=[O:20])[OH:21])[n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][n:7]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH2:1][c:2]1[c:3]([C:19](=[O:21])[N:25]([O:24][CH3:23])[CH3:26])[n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][n:7]1