HRID157816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID21873787

3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxylic acid

C8H6N2O3S

HCID72493302

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nccc(CCN3CCC(CNC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1

HCID178487850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8d6ecbbb7464b29930a938a62d325ac
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

[CH2:56]([Cl:57])[CH2:58][Cl:59].[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([CH2:13][CH2:14][N:15]3[CH2:16][CH:17]([CH2:20][NH2:21])[CH2:18][CH2:19]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1.[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[O:31]=[C:32]1[NH:33][c:34]2[c:35]([cH:38][cH:39][c:40]([C:42](=[O:43])[OH:44])[n:41]2)[S:36][CH2:37]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:45].[OH:46][c:47]1[c:48]2[n:49][n:50][nH:51][c:52]2[cH:53][cH:54][cH:55]1>>[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([CH2:13][CH2:14][N:15]3[CH2:16][CH:17]([CH2:20][NH:21][C:42]([c:40]4[cH:39][cH:38][c:35]5[c:34]([n:41]4)[NH:33][C:32](=[O:31])[CH2:37][S:36]5)=[O:43])[CH2:18][CH2:19]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1