HRID90862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID688109

(2,4,6-trimethoxyphenyl)methanamine

C10H15NO3

结构：Cc1c(C(=O)O)c(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

HCID10137828

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

HCID22718399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-803f0d14abc44a90ba9d9da448c69b63
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

[CH2:65]([N:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1)[CH3:72].[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH3:51][O:52][c:53]1[cH:54][c:55]([O:56][CH3:57])[cH:58][c:59]([O:60][CH3:61])[c:62]1[CH2:63][NH2:64].[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:26]([CH3:27])[CH3:28])[c:12]([C:23]([OH:24])=[O:25])[c:13]([CH3:22])[n:14]2[CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:73][CH2:74][Cl:75].[ClH:50].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:26]([CH3:27])[CH3:28])[cH:12][c:13]([CH3:22])[n:14]2[CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[cH:5][c:6]([Cl:8])[cH:7]1