HRID182011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID59258092

未命名化合物

结构：Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc2oc(=O)[nH]c12

HCID68608938

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(S(N)(=O)=O)CC3)CC2)cc2oc(=O)[nH]c12

HCID178425760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c2cfa2d1c884046a6bf40437114b552
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-:38]([F:39])([F:40])([F:41])[F:42].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[ClH:83].[N:67]1([S:79](=[O:80])(=[O:81])[NH2:82])[CH2:68][CH2:69][CH:70]([CH:73]2[CH2:74][CH2:75][NH:76][CH2:77][CH2:78]2)[CH2:71][CH2:72]1.[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:34][cH:35][cH:36][cH:37]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]3[c:23]([nH:24][c:25](=[O:27])[o:26]3)[c:28]([CH3:30])[cH:29]2)[C:31](=[O:32])[OH:33])[CH2:13][CH2:14]1.[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:34][cH:35][cH:36][cH:37]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]3[c:23]([nH:24][c:25](=[O:27])[o:26]3)[c:28]([CH3:30])[cH:29]2)[C:31](=[O:32])[N:76]2[CH2:75][CH2:74][CH:73]([CH:70]3[CH2:69][CH2:68][N:67]([S:79](=[O:80])(=[O:81])[NH2:82])[CH2:72][CH2:71]3)[CH2:78][CH2:77]2)[CH2:13][CH2:14]1