HRID177838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID96034

2,5-Dimethylpyrrolidine

C6H13N

HCID130500

未命名化合物

结构：O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)O)c(Cl)c1

HCID178523088

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(C)N1C(=O)c1ccc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)cc1Cl

HCID178425437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41858f0daea945cb999a7ba16190ecc9
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-:32]([F:33])([F:34])([F:35])[F:36].[CH3:25][CH:26]1[NH:27][CH:28]([CH3:31])[CH2:29][CH2:30]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:61][S:62]([CH3:63])=[O:64].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH2:8][c:9]2[n:10][c:11]3[c:12]([nH:13]2)[cH:14][cH:15][c:16]([Cl:18])[cH:17]3)[cH:19][cH:20][c:21]1[C:22](=[O:23])[OH:24].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH2:8][c:9]2[n:10][c:11]3[c:12]([nH:13]2)[cH:14][cH:15][c:16]([Cl:18])[cH:17]3)[cH:19][cH:20][c:21]1[C:22](=[O:23])[N:27]1[CH:26]([CH3:25])[CH2:30][CH2:29][CH:28]1[CH3:31]