HRID691006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6456

Trityl chloride

C19H15Cl

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)O)c1csc(N)n1

HCID2733707

{[(1-tert-Butoxy-2-methyl-1-oxopropan-2-yl)oxy]imino}(2-imino-2,3-dihydro-1,3-thiazol-4-yl)acetic acid

C13H19N3O5S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53445344

{[(1-tert-Butoxy-2-methyl-1-oxopropan-2-yl)oxy]imino}{2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl}acetic acid

C32H33N3O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12ffddb575334f6cb20539c6940fa739
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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