HRID1133312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID3732841

2-(Methylsulfonyl)acetic acid

C3H6O4S

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)c3ccccc23)cc1

HCID58532569

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(NC(=O)CS(C)(=O)=O)c3)c3ccccc23)cc1

HCID46836045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-988480678b8d466b9b3f5b850a4a8247
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][C:6](=[O:7])[OH:8].[CH3:68][OH:69].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:65][CH2:66][Cl:67].[Cl:9][C:10]([N:11]([CH3:12])[CH3:13])=[C:14]([CH3:15])[CH3:16].[NH2:17][c:18]1[n:19][cH:20][cH:21][c:22]([O:24][c:25]2[cH:26][cH:27][c:28]([NH:35][C:36](=[O:37])[NH:38][c:39]3[cH:40][c:41]([C:51]([CH3:52])([CH3:53])[CH3:54])[n:42][n:43]3-[c:44]3[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[cH:23]1.[NH3:64]>>[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][C:6](=[O:8])[NH:17][c:18]1[n:19][cH:20][cH:21][c:22]([O:24][c:25]2[cH:26][cH:27][c:28]([NH:35][C:36](=[O:37])[NH:38][c:39]3[cH:40][c:41]([C:51]([CH3:52])([CH3:53])[CH3:54])[n:42][n:43]3-[c:44]3[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[cH:23]1