HRID2347710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID10009

3-Pyridinamine

C5H6N2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：CSc1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1

HCID86649777

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2ccccc2n1-c1nc(Nc2cccnc2)nc(N2CCOCC2)n1

HCID49868943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-344fe25006674c43b17d63850795ea2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:40]([OH:41])(=[O:42])[CH3:43].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:9][CH:10]([N-:11][CH:12]([CH3:13])[CH3:14])[CH3:15].[Cl:16][c:17]1[n:18][c:19](-[n:29]2[c:30]([S:38][CH3:39])[n:31][c:32]3[c:33]2[cH:34][cH:35][cH:36][cH:37]3)[n:20][c:21]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[n:22]1.[Li+:8].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1.[OH2:49]>>[NH:1]([c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1)[c:17]1[n:18][c:19](-[n:29]2[c:30]([S:38][CH3:39])[n:31][c:32]3[c:33]2[cH:34][cH:35][cH:36][cH:37]3)[n:20][c:21]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[n:22]1