HRID1151084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID312183

4-Boronobenzoic acid

C7H7BO4

结构：O=S(=O)(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1

HCID22710571

5-Chloro-2-(piperazine-1-sulfonyl)-1H-indole

C12H14ClN3O2S

PRODUCTS

生成物

结构：O=C(c1ccc(B(O)O)cc1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

HCID69307389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ff6d906eb694cc6aadaffaad48f607b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:32]([F:33])([F:34])([F:35])[F:36].[C:20](=[O:21])([OH:22])[c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([S:11](=[O:12])(=[O:13])[N:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[nH:7][c:8]2[cH:9][cH:10]1.[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]2[cH:5][c:6]([S:11](=[O:12])(=[O:13])[N:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[c:23]4[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]4)[CH2:18][CH2:19]3)[nH:7][c:8]2[cH:9][cH:10]1