HRID134166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID10040

Thiophosgene

CCl2S

HCID81531

Diisopropylethylamine

C8H19N

HCID255273

1-Phenylimidazolidin-2-one

C9H10N2O

结构：Cn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1

HCID59424507

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1

HCID44564707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17ba65ffa1c642d6be6942af481abb3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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