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Dichloromethane → (+/-)-{3-[[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-cyclopropyl-methyl]-(4-methyl-benzoyl)-amino]-propyl}-carbamic acid tert-butyl ester

HRID 819285
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HRID 819285 반응식
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH2:15][CH2:16][CH2:17][NH:18][CH:19]([CH:20]1[CH2:21][CH2:22]1)[c:23]1[n:24][n:25]2[c:26]([c:27](=[O:36])[n:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[c:37]([Cl:40])[cH:38][cH:39]2)=[O:41].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:42][c:43]1[cH:44][cH:45][c:46]([C:47](=[O:48])[Cl:49])[cH:50][cH:51]1.[Cl:52][CH2:53][Cl:54]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH2:15][CH2:16][CH2:17][N:18]([CH:19]([CH:20]1[CH2:21][CH2:22]1)[c:23]1[n:24][n:25]2[c:26]([c:27](=[O:36])[n:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[c:37]([Cl:40])[cH:38][cH:39]2)[C:47]([c:46]1[cH:45][cH:44][c:43]([CH3:42])[cH:51][cH:50]1)=[O:48])=[O:41]
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참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 134054-Methylbenzoyl ChlorideHCID 69591847(3-{[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-cyclopropyl-methyl]-amino}-propyl)-carbamic acid tert-butyl ester

생성물 1

HCID 69591850(+/-)-{3-[[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-cyclopropyl-methyl]-(4-methyl-benzoyl)-amino]-propyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-b96c00a06fcf436b9f0fa1602fa5623f
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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