HRID308135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID105034

Isocyanate

CNO-

HCID4176318

5-tert-Butyl-o-anisidine

C11H17NO

结构：Nc1ccc(-c2cnc3c(c2)NC(=O)CO3)c2ccccc12

HCID22631411

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cnc3c(c2)NC(=O)CO3)c2ccccc12

HCID10228549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0127a52638af4136aaf2b841bcd0dd78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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