HRID678455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

结构：CC(C)(C)c1cc(N2CCN(CCCCl)CC2)nc(C(C)(C)C)n1

HCID22349871

未命名化合物

HCID178434152

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1nnc(SCCCN2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)n1C

HCID11430732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aee19340a68b482da966a66ae519feef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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