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Sulfamic acid 1-ethyl-cyclopropyl ester → 2-[2-Ethyl-1-(1-ethyl-cyclopropoxysulfonylaminocarbonyl)-cyclopropylcarbamoyl]-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 2143028
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반응식

HRID 2143028 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[OH:35])[CH:29]([CH2:31][CH3:32])[CH2:30]2)=[O:36])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1.[CH2:37]([CH3:38])[C:39]1([O:42][S:43]([NH2:44])(=[O:45])=[O:46])[CH2:40][CH2:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[NH:44][S:43]([O:42][C:39]3([CH2:37][CH3:38])[CH2:40][CH2:41]3)(=[O:45])=[O:46])[CH:29]([CH2:31][CH3:32])[CH2:30]2)=[O:36])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1
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반응물 2

HCID 57785622Sulfamic acid 1-ethyl-cyclopropyl esterHCID 687955642-(1-Carboxy-2-ethyl-cyclopropylcarbamoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 766051312-[2-Ethyl-1-(1-ethyl-cyclopropoxysulfonylaminocarbonyl)-cyclopropylcarbamoyl]-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-cbf5474d94bb4ba7aa4c28b0cb5d0c33
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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