Succinic Acid → Succinic Acid

HRID 165925Notes

Reaction equation

HRID 165925 reaction equation
[C:33]([CH2:34][CH2:35][C:36](=[O:37])[OH:38])(=[O:39])[OH:40].[Cl:1][c:2]1[c:3]([NH:19][CH:20]([CH3:21])[c:22]2[s:23][c:24](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11](=[O:12])[C:13]([F:14])([F:15])[F:16])[CH2:9][CH2:10]2.[Cl:41][c:42]1[c:43]([NH:53][CH:54]([CH3:55])[c:56]2[s:57][cH:58][cH:59][cH:60]2)[c:44]2[c:45]([cH:51][cH:52]1)[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2>>[C:33]([CH2:34][CH2:35][C:36](=[O:37])[OH:38])(=[O:39])[OH:40].[Cl:1][c:2]1[c:3]([NH:19][CH:20]([CH3:21])[c:22]2[s:23][c:24](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2.[Cl:41][c:42]1[c:43]([NH:53][CH:54]([CH3:55])[c:56]2[s:57][cH:58][cH:59][cH:60]2)[c:44]2[c:45]([cH:51][cH:52]1)[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2

Participants

6

Reactant 3

HCID 1110Succinic AcidHCID 576560147-chloro-N-(1-thiophen-2-ylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amineHCID 866296561-[7-Chloro-6-[1-(5-phenylthiophen-2-yl)ethylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone

Product 3

HCID 1110Succinic AcidHCID 576559077-chloro-N-[1-(5-phenylthiophen-2-yl)ethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amineHCID 576560147-chloro-N-(1-thiophen-2-ylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

Sources & evidence

ORD record
ord-3826e7e5efa848f5ab407b1112e2398c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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