1,2-Dichloroethane → methyl 14-cyclohexyl-7-[(2-pyrrolidin-1-ylethyl)amino]-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylate

HRID 103518Notes

Reaction equation

HRID 103518 reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:27](=[O:28])[O:29][CH3:30])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][cH:24][cH:23][cH:22]2)[O:18][CH2:17][C:16](=[O:26])[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:62][CH2:63][CH2:64][Cl:65].[Cl:66][CH2:67][Cl:68].[N:31]1([CH2:36][CH2:37][NH2:38])[CH2:32][CH2:33][CH2:34][CH2:35]1.[Na+:56].[Na+:61].[O-:57][C:58]([OH:59])=[O:60]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:27](=[O:28])[O:29][CH3:30])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][cH:24][cH:23][cH:22]2)[O:18][CH2:17][CH:16]([NH:38][CH2:37][CH2:36][N:31]2[CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 13441-PyrrolidineethanamineHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 50994368methyl 14-cyclohexyl-7-oxo-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylate

Product 1

HCID 68507210methyl 14-cyclohexyl-7-[(2-pyrrolidin-1-ylethyl)amino]-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylate

Sources & evidence

ORD record
ord-5fc63eef16e3420889da75601fc5a95e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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