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Hydrochloric Acid → t-butyl 2-[[3-(5H-dibenzo[a,d][7]annulen-5-ylidene)propyl](methyl)amino]-2-oxoethylcarbamate

HRID 2310484
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HRID 2310484 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[OH:12].[CH2:14]([N:15]=[C:16]=[N:17][CH2:18][CH2:19][CH2:20][N:21]([CH3:22])[CH3:23])[CH3:24].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:57][CH2:58][Cl:59].[ClH:13].[Na+:52].[OH:53][C:54](=[O:55])[O-:56].[cH:25]1[cH:26][cH:27][cH:28][c:29]2[c:35]1[CH:34]=[CH:33][c:32]1[c:31]([cH:39][cH:38][cH:37][cH:36]1)[C:30]2=[CH:40][CH2:41][CH2:42][NH:43][CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:12])[N:43]([CH2:42][CH2:41][CH:40]=[C:30]1[c:29]2[cH:28][cH:27][cH:26][cH:25][c:35]2[CH:34]=[CH:33][c:32]2[c:31]1[cH:39][cH:38][cH:37][cH:36]2)[CH3:44]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9918NorcyclobenzaprineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 78288
N-(tert-butoxycarbonyl)glycine

생성물 1

HCID 59853902t-butyl 2-[[3-(5H-dibenzo[a,d][7]annulen-5-ylidene)propyl](methyl)amino]-2-oxoethylcarbamate

출처 및 근거

ORD 기록
ord-55337c9ace604537b0fb8f489640cf1b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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