Chloroform → (3RS)-1,3-dihydro-3-(2-indolylcarbonylamino)-5-phenyl-1-{2-((RS)-2-tetrahydropyranyloxy)ethyl}-2H-1,4-benzodiazepine-2-one

HRID 181060Notes

Reaction equation

HRID 181060 reaction equation
[CH:23]1([N:24]=[C:25]=[N:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[CH:88]([Cl:89])([Cl:90])[Cl:91].[NH2:38][CH:39]1[N:40]=[CH:41][c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[N:48]([CH2:49][CH2:50][O:51][CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][O:57]2)[C:58]1=[O:59].[OH:13][n:14]1[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1.[c:60]1([C:66]2=[N:67][CH:68]([NH2:87])[C:69](=[O:86])[N:70]([CH2:77][CH2:78][O:79][CH:80]3[O:81][CH2:82][CH2:83][CH2:84][CH2:85]3)[c:71]3[c:72]2[cH:73][cH:74][cH:75][cH:76]3)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[nH:1]1[c:2]([C:10](=[O:11])[OH:12])[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[c:2]([C:10](=[O:12])[NH:87][CH:68]2[N:67]=[C:66]([c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)[c:72]3[c:71]([cH:76][cH:75][cH:74][cH:73]3)[N:70]([CH2:77][CH2:78][O:79][CH:80]3[O:81][CH2:82][CH2:83][CH2:84][CH2:85]3)[C:69]2=[O:86])[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

7

Reactant 6

HCID 6212ChloroformHCID 10868DicyclohexylcarbodiimideHCID 72899Indole-2-carboxylic acidHCID 757711-HydroxybenzotriazoleHCID 14800304(3RS)-1,3-dihydro-5-phenyl-3-amino-1-{2-((RS)-2-tetrahydropyranyloxy) ethyl}-2H-1,4-benzodiazepine-2-oneHCID 70360821amino-1-{2-((RS)-2-tetrahydropyranyloxy)ethyl}-2H-1,4-benzodiazepine-2-one

Product 1

HCID 14800305(3RS)-1,3-dihydro-3-(2-indolylcarbonylamino)-5-phenyl-1-{2-((RS)-2-tetrahydropyranyloxy)ethyl}-2H-1,4-benzodiazepine-2-one

Sources & evidence

ORD record
ord-fc2ba25b43c5459d883117dfec7c767d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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