HRID291478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID13364

Ethanamine, 2-chloro-N,N-diethyl-

C6H14ClN

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：CCN(CC)CCON=C1CC(c2ccccc2-c2ccccc2)Cc2nc(N)nc(C)c21

HCID76750939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f86f0c331ae4a0aa34cb043508e0ad3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:28]([CH3:29])[N:30]([CH2:31][CH2:32][Cl:33])[CH2:34][CH3:35].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][O:44][N:45]=[C:46]1[CH2:47][CH:48]([c:49]2[cH:50][c:51]([F:52])[cH:53][cH:54][c:55]2-[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[CH2:62][c:63]2[n:64][c:65]([NH2:66])[n:67][c:68]([CH3:69])[c:70]21.[ClH:27].[H-:36].[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+:37]>>[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][CH2:32][CH2:31][N:30]([CH2:28][CH3:29])[CH2:34][CH3:35])[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