Dichloromethane → HCID 19704808, compound

HRID 116187Notes

Reaction equation

HRID 116187 reaction equation
[CH2:59]([Cl:60])[Cl:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:45][C:46](=[O:47])[O:48][CH2:49][c:50]1[cH:51][cH:52][c:53]([N+:56](=[O:57])[O-:58])[cH:54][cH:55]1.[NH2:1][CH:2]1[CH2:3][N:4]([C:6](=[O:7])[CH:8]2[N:9]([C:23](=[O:24])[O:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]3)[CH2:10][CH:11]([S:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[CH2:12]2)[CH2:5]1>>[NH:1]([CH:2]1[CH2:3][N:4]([C:6](=[O:7])[CH:8]2[N:9]([C:23](=[O:24])[O:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]3)[CH2:10][CH:11]([S:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[CH2:12]2)[CH2:5]1)[C:46](=[O:47])[O:48][CH2:49][c:50]1[cH:51][cH:52][c:53]([N+:56](=[O:57])[O-:58])[cH:54][cH:55]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 782054-Nitrobenzyl chloroformateHCID 81531DiisopropylethylamineHCID 178491673HCID 178491673, compound

Product 1

HCID 19704808HCID 19704808, compound

Sources & evidence

ORD record
ord-4a4b1f5d8a4245e8a80cf5038ec2dded
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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