1,2-Dichloroethane → HCID 178447553, compound

HRID 159507

Reaction equation

HRID 159507 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]3[c:22]([cH:23]2)[C:21](=[O:24])[N:20]([CH2:25][C:26](=[O:27])[OH:28])[CH2:19][CH2:18]3)[CH2:12][CH2:13]1.[CH2:39]([Cl:40])[CH2:41][Cl:42].[CH2:44]([CH3:45])[O:46][C:47]([CH2:48][CH:49]([NH2:50])[C:51]#[CH:52])=[O:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[ClH:43].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]3[c:22]([cH:23]2)[C:21](=[O:24])[N:20]([CH2:25][C:26](=[O:27])[NH:50][CH:49]([CH2:48][C:47]([O:46][CH2:44][CH3:45])=[O:53])[C:51]#[CH:52])[CH2:19][CH2:18]3)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 11794693[7-(4-t-Butoxycarbonylpiperazin-1-yl)-3,4-dihydro-1(1H)-isoquinolinone-2-yl]acetic acidHCID 22006121Ethyl 3-amino-4-pentynoate

Product 1

HCID 178447553HCID 178447553, compound

Sources & evidence

ORD record
ord-9f0c8beac8f445219504a69d38ea4961
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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