HRID214211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID20274

Heptane, 1-iodo-

C7H15I

HCID166653

Hydride

H-

结构：Oc1nsnc1C1CN=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

HCID178519023

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCCCOc1nsnc1C1CN=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

HCID20080444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2b54537069b421586e0a3090ddf3895
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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