HRID2127604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID10422

Azetidine

C3H7N

HCID81531

Diisopropylethylamine

C8H19N

结构：CSc1nc(Cl)c(F)c(NNC(=O)C(CC2CCCC2)CN(C=O)OC2CCCCO2)n1

HCID123351982

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(NNC(=O)C(CC2CCCC2)CN(C=O)OC2CCCCO2)c(F)c(N2CCC2)n1

HCID178503509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f83b5bf14da84e169789d0ac57ed2b5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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