HRID153198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID13883777

1,1,1-Trifluoro-2-isothiocyanatoethane

C3H2F3NS

结构：NCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)n1

HCID20432314

未命名化合物

PRODUCTS

生成物

结构：Fc1nc(CCCNC(=S)NCC(F)(F)F)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID53723255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fe87a202f194e76b3f16f19c1836d1d
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

[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[F:30][C:31]([CH2:32][N:33]=[C:34]=[S:35])([F:36])[F:37].[NH2:1][CH2:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([F:29])[n:8]([C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:9]1>>[NH:1]([CH2:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([F:29])[n:8]([C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:9]1)[C:34]([NH:33][CH2:32][C:31]([F:30])([F:36])[F:37])=[S:35]