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Bicarbonate Ion → N-[2-amino-5-(3-thienyl)-phenyl]-4-[2-anilino-1-({[(methylamino)carbonyl]amino}methyl)-2-oxoethyl]benzamide

HRID 296607
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HRID 296607 반응식
[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[Cl:57][CH2:58][Cl:59].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]([CH:9]([CH2:10][NH:11][C:12](=[O:13])[NH:14][CH3:15])[c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]2[c:24]([NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:25][cH:26][c:27](-[c:29]3[cH:30][s:31][cH:32][cH:33]3)[cH:28]2)[cH:42][cH:43]1)=[O:44].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]([CH:9]([CH2:10][NH:11][C:12](=[O:13])[NH:14][CH3:15])[c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]2[c:24]([NH2:34])[cH:25][cH:26][c:27](-[c:29]3[cH:30][s:31][cH:32][cH:33]3)[cH:28]2)[cH:42][cH:43]1)=[O:44]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57611898tert-Butyl [2-({4-[2-anilino-1-({[(methylamino)carbonyl]amino}methyl)-2-oxoethyl]-benzoyl}amino)-4-(3-thienyl)phenyl]carbamate

생성물 1

HCID 24753765
N-[2-amino-5-(3-thienyl)-phenyl]-4-[2-anilino-1-({[(methylamino)carbonyl]amino}methyl)-2-oxoethyl]benzamide

출처 및 근거

ORD 기록
ord-e571f2e29a4d4e288d316d795322e7af
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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