HRID209832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6556

2-Methylbutane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10040

Thiophosgene

CCl2S

结构：Nc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1F

HCID178507749

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)ccc1N=C=S

HCID178505955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-299159d4fc51461494be4e60655d4913
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:54]([O:55][CH2:56][CH3:57])[CH3:58].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:46][CH2:47][CH:48]([CH3:49])[CH3:50].[Cl:36][C:37]([Cl:38])=[S:39].[Cl:51][CH2:52][Cl:53].[F:8][c:9]1[c:10]([NH2:11])[cH:12][cH:13][c:14]([O:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][c:25]([CH2:28][O:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[nH:26][cH:27]3)[cH:21][cH:22]2)[cH:15]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:40]>>[F:8][c:9]1[c:10]([N:11]=[C:37]=[S:39])[cH:12][cH:13][c:14]([O:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][c:25]([CH2:28][O:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[nH:26][cH:27]3)[cH:21][cH:22]2)[cH:15]1