HRID2334866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID12162441

未命名化合物

结构：CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCCC(=O)O)cc2S(=O)(=O)C1

HCID22393113

未命名化合物

PRODUCTS

生成物

结构：CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCCC(=O)NC(C(=O)OC(C)(C)C)c3ccccc3)cc2S(=O)(=O)C1

HCID18442461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43c486c42d034b0c8dd43c4e2752d22c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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