HRID2337827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID6395

Methanesulfonic acid

CH4O3S

HCID7047

Quinoline

C9H7N

HCID21906198

1-(Pyridin-4-yl)pyrrolidin-3-ol

C9H12N2O

HCID21906381

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)OC1CCN(c2ccncc2)C1

HCID21906357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8307a99779894b759b463c525a7553a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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