HRID181361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

结构：c1ccc(COCC2CC(SC(c3ccccc3)(c3ccccc3)c3ccccc3)CN2)cc1

HCID22671660

未命名化合物

PRODUCTS

生成物

结构：NC(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1COCc1ccccc1

HCID178514062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a6e3732bd924c4bbd398c3f9f613086
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[NH:11][CH2:12][CH:13]([S:15][C:16]([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)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:14]1.[CH3:35][Si:36]([CH3:37])([CH3:38])[N:39]=[C:40]=[O:41].[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:42][CH2:43][Cl:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[N:11]([C:40]([NH2:39])=[O:41])[CH2:12][CH:13]([S:15][C:16]([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)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:14]1