HRID111023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID262764

2-[(Triphenylmethyl)sulfanyl]ethan-1-amine

C21H21NS

结构：O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(CO)cc1

HCID53413280

Pentafluorophenyl 4-(hydroxymethyl)benzoate

C14H7F5O3

PRODUCTS

生成物

结构：O=C(NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(CO)cc1

HCID59710624

4-(Hydroxymethyl)-N-{2-[(triphenylmethyl)sulfanyl]ethyl}benzamide

C29H27NO2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0092766ef7e647958c86d796e3382fb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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