HRID200610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7000

2-Anisidine

C7H9NO

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)O)n3)cc2)CC1

HCID68532511

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccccc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N

HCID10052336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dd4eafa223e47b8a509c958cf5ed9c1
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-:36]([F:37])([F:38])([F:39])[F:40].[CH2:69]([N:70]([CH:71]([CH3:72])[CH3:73])[CH:74]([CH3:75])[CH3:76])[CH3:77].[CH2:84]([Cl:85])[Cl:86].[CH3:1][O:2][c:3]1[c:4]([NH2:5])[cH:6][cH:7][cH:8][cH:9]1.[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:87][CH2:88][O:89][CH2:90][CH3:91].[ClH:78].[NH2:10][c:11]1[c:12]([C:33](=[O:34])[OH:35])[n:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[N:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[cH:21][cH:22]2)[cH:15][n:16]1.[OH2:58].[OH:59][n:60]1[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1.[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][O:2][c:3]1[c:4]([NH:5][C:33]([c:12]2[c:11]([NH2:10])[n:16][cH:15][c:14](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[N:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[cH:21][cH:22]3)[n:13]2)=[O:34])[cH:6][cH:7][cH:8][cH:9]1.[ClH:78]