HRID281578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11039

Propanoic acid, 2-methyl-, methyl ester

C5H10O2

HCID26255

Tetrafluoroborate

BF4-

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID4060964

未命名化合物

结构：CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(Br)cc32)cc1

HCID59618636

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2

HCID59618702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4261418fe2a540a89753453180ca7a71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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