HRID142199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

结构：NCCCCCC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID67006851

7-Amino-1-[(triphenylmethyl)sulfanyl]heptan-2-one

C26H29NOS

PRODUCTS

生成物

结构：O=C(CCCCCNC(=O)Nc1ccccc1)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID67006722

N-{6-Oxo-7-[(triphenylmethyl)sulfanyl]heptyl}-N'-phenylurea

C33H34N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edd16c695292409f8645f9d6ae9747bc
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

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