HRID1129535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(CN(c2nncs2)S(=O)(=O)c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3-c3ccnnc3)cc2F)c(OC)c1

HCID59436532

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F

HCID46841787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9891067c79484ee8a631b96b6a8495ee
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

[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:54][OH:55].[Cl:1][c:2]1[c:3]([O:29][c:30]2[c:31](-[c:40]3[cH:41][n:42][n:43][cH:44][cH:45]3)[cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:4][c:5]([F:28])[c:6]([S:8](=[O:9])(=[O:10])[N:11]([c:12]2[s:13][cH:14][n:15][n:16]2)[CH2:17][c:18]2[cH:19][cH:20][c:21]([O:22][CH3:23])[cH:24][c:25]2[O:26][CH3:27])[cH:7]1.[ClH:46].[NH3:47].[OH2:56]>>[Cl:1][c:2]1[c:3]([O:29][c:30]2[c:31](-[c:40]3[cH:41][n:42][n:43][cH:44][cH:45]3)[cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:4][c:5]([F:28])[c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][n:15][n:16]2)[cH:7]1