HRID817389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID81121

Pyridine, 5-amino-2-methoxy-

C6H8N2O

HCID3280088

未命名化合物

结构：CSc1nc(C)nc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)cnc2F)n1

HCID59548392

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ncc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2nc(C)nc(SC)n2)cn1

HCID66610640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-435eaa1755f84d88a1cd0ce189e84798
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

[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl-:55].[F:11][c:12]1[c:13](-[c:32]2[n:33][c:34]([S:39][CH3:40])[n:35][c:36]([CH3:38])[n:37]2)[cH:14][c:15]([CH2:18][N:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[cH:16][n:17]1.[Li+:1].[NH2:41][c:42]1[cH:43][cH:44][c:45]([O:48][CH3:49])[n:46][cH:47]1.[NH4+:56].[OH2:57]>>[c:12]1([NH:41][c:42]2[cH:43][cH:44][c:45]([O:48][CH3:49])[n:46][cH:47]2)[c:13](-[c:32]2[n:33][c:34]([S:39][CH3:40])[n:35][c:36]([CH3:38])[n:37]2)[cH:14][c:15]([CH2:18][N:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[cH:16][n:17]1