HRID671869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

HCID166653

Hydride

H-

结构：Cc1nc(N)nc2c1C(=NO)CC(c1ccccc1-c1ccccc1)C2

HCID76750894

未命名化合物

结构：Cc1nc(N)nc2c1C(=NOCCCN(C)C)CC(c1cc(F)ccc1-c1ccccc1)C2

HCID86653555

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)nc2c1C(=NOCCN(C)C)CC(c1ccccc1-c1ccccc1)C2

HCID76750890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daf49ea7b1ff4353931d9a8e05350006
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

[CH3:28][N:29]([CH2:30][CH2:31][Cl:32])[CH3:33].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][O:42][N:43]=[C:44]1[CH2:45][CH:46]([c:47]2[cH:48][c:49]([F:50])[cH:51][cH:52][c:53]2-[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:60][c:61]2[n:62][c:63]([NH2:64])[n:65][c:66]([CH3:67])[c:68]21.[ClH:27].[H-:34].[NH2:1][c:2]1[n:3][c:4]2[c:9]([c:10]([CH3:12])[n:11]1)[C:8](=[N:13][OH:14])[CH2:7][CH:6]([c:15]1[c:16](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18][cH:19][cH:20]1)[CH2:5]2.[Na+:35]>>[NH2:1][c:2]1[n:3][c:4]2[c:9]([c:10]([CH3:12])[n:11]1)[C:8](=[N:13][O:14][CH2:31][CH2:30][N:29]([CH3:28])[CH3:33])[CH2:7][CH:6]([c:15]1[c:16](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18][cH:19][cH:20]1)[CH2:5]2