Water → 4-(Cyclopropylmethyl-amino)-benzenesulfonic acid 4-amino-3-nitro-phenyl ester

HRID 1234041Notes

Reaction equation

HRID 1234041 reaction equation
[CH3:28][N:29]1[CH2:30][CH2:31][CH2:32][C:33]1=[O:34].[CH:22]1([CH2:25][NH2:26])[CH2:23][CH2:24]1.[NH2:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][c:5]([O:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:6][cH:7]1.[OH2:27]>>[NH2:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][c:5]([O:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([NH:26][CH2:25][CH:22]3[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 75646CyclopropanemethanamineHCID 120188434-Amino-3-nitrophenyl 4-fluorobenzenesulfonate

Product 1

HCID 865960784-(Cyclopropylmethyl-amino)-benzenesulfonic acid 4-amino-3-nitro-phenyl ester

Sources & evidence

ORD record
ord-dbc84f8bd73747c5985fe1a1fbb291b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…