HRID170588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID21873756

3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl chloride

C8H6ClNO3S2

结构：COc1ccc2ncc(F)c(CCN3CC(O)C(CN)C3)c2n1

HCID68576957

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2ncc(F)c(CCN3CC(O)C(CNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1

HCID178487923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f2d51efd94c400dadedeba83f8e8513
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:48][CH2:49][Cl:50].[NH2:1][CH2:2][CH:3]1[CH:4]([OH:23])[CH2:5][N:6]([CH2:8][CH2:9][c:10]2[c:11]([F:22])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[n:18][c:19]23)[CH2:7]1.[O:33]=[C:34]1[CH2:35][S:36][c:37]2[c:38]([cH:40][c:41]([S:44](=[O:45])(=[O:46])[Cl:47])[cH:42][cH:43]2)[NH:39]1>>[NH:1]([CH2:2][CH:3]1[CH:4]([OH:23])[CH2:5][N:6]([CH2:8][CH2:9][c:10]2[c:11]([F:22])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[n:18][c:19]23)[CH2:7]1)[S:44]([c:41]1[cH:40][c:38]2[c:37]([cH:43][cH:42]1)[S:36][CH2:35][C:34](=[O:33])[NH:39]2)(=[O:45])=[O:46]