HRID807247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID57512954

未命名化合物

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)CCCN(C)C)CC2)n1

HCID46918268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1904874a0a7f49c18ad4319a9124e68c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:35][N:36]([CH2:37][CH2:38][CH2:39][S:40](=[O:41])(=[O:42])[N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1)[CH3:49].[CH3:59][S:60]([CH3:61])=[O:62].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[ClH:33].[ClH:34].[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].[OH2:63]>>[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:40]([CH2:39][CH2:38][CH2:37][N:36]([CH3:35])[CH3:49])(=[O:41])=[O:42])[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]