HRID671214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID25799

N,N-Dimethylcysteamine

C4H11NS

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

结构：O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)C(Cl)c1ccccc1

HCID21837022

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCSC(C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1

HCID21837204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a27aeb6f50514ea49370f5f5a0204d72
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

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