HRID96815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCNCC2)nc(N2CCOCC2)n1

HCID66698047

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(S(=O)(=O)N(C)C)CC2)n1

HCID46917504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703a443e19d2425caf386fd4be028a2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:42][N:43]([S:44](=[O:45])(=[O:46])[Cl:47])[CH3:48].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:50][CH2:51][Cl:52].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:26][cH:27][cH:28][c:29]2[O:30][CH3:31])[F:32].[OH2:49]>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]3[CH2:21][CH2:22][N:23]([S:44]([N:43]([CH3:42])[CH3:48])(=[O:45])=[O:46])[CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:26][cH:27][cH:28][c:29]2[O:30][CH3:31])[F:32]